(2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan

C30H42O3 — CID 162961955

IUPAC(2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan
SMILESC=C1[C@@H](O[C@H]2O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]3C2=C)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12
InChIInChI=1S/C30H42O3/c1-19-9-7-11-21(3)17-27-25(15-13-19)23(5)29(31-27)33-30-24(6)26-16-14-20(2)10-8-12-22(4)18-28(26)32-30/h9-10,17-18,25-30H,5-8,11-16H2,1-4H3/b19-9-,20-10-,21-17-,22-18-/t25-,26-,27+,28+,29+,30+/m0/s1
InChIKeyOQSJKSVZJJTGQR-MKHPODSRSA-N
MW450.66 g/mol
LogP7.73
Rot. Bonds2

About (2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan

(2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan (PubChem CID 162961955) has the molecular formula C30H42O3 and a molecular weight of 450.66 g/mol. Its IUPAC name is (2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan.

Molecular Properties

Compound Name(2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan
PubChem CID162961955
Molecular FormulaC30H42O3
Molecular Weight450.66 g/mol
Exact Mass450.31
IUPAC Name(2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan
SMILESC=C1[C@@H](O[C@H]2O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]3C2=C)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12
InChIInChI=1S/C30H42O3/c1-19-9-7-11-21(3)17-27-25(15-13-19)23(5)29(31-27)33-30-24(6)26-16-14-20(2)10-8-12-22(4)18-28(26)32-30/h9-10,17-18,25-30H,5-8,11-16H2,1-4H3/b19-9-,20-10-,21-17-,22-18-/t25-,26-,27+,28+,29+,30+/m0/s1
InChIKeyOQSJKSVZJJTGQR-MKHPODSRSA-N
XLogP7.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.66
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan with MolForge

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Related Compounds

(3aS,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 6436243
methyl 6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylate
CID 163032988
(6E,10E,14E,15aS)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
CID 23425357
(15aR)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
CID 123547442
6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran
CID 22216621
(2E,6E,10E)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol
CID 13255921
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
methyl (3aS,6E,10E,11aR)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
CID 25116004
(3aR,4R,6E,10E,11aS)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 162947614
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(3R,3aS,6E,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 14164874

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan?
The IUPAC name of (2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan (CID 162961955) is (2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan.
What is the SMILES notation for (2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan?
The canonical SMILES for (2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan is C=C1[C@@H](O[C@H]2O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]3C2=C)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12.
What is the InChIKey of (2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan?
The InChIKey is OQSJKSVZJJTGQR-MKHPODSRSA-N. The full InChI is InChI=1S/C30H42O3/c1-19-9-7-11-21(3)17-27-25(15-13-19)23(5)29(31-27)33-30-24(6)26-16-14-20(2)10-8-12-22(4)18-28(26)32-30/h9-10,17-18,25-30H,5-8,11-16H2,1-4H3/b19-9-,20-10-,21-17-,22-18-/t25-,26-,27+,28+,29+,30+/m0/s1.
What are the key properties of (2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan?
(2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan has a molecular weight of 450.66 g/mol, XLogP of 7.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,6Z,10Z,11aR)-2-[[(2R,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-yl]oxy]-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan is sourced from PubChem (CID 162961955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).