(5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan

C15H18O — CID 10608682

IUPAC(5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan
SMILESC=C1Cc2occ(C)c2C[C@@H]2C(=C)CC[C@H]12
InChIInChI=1S/C15H18O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h8,12-13H,1-2,4-7H2,3H3/t12-,13-/m1/s1
InChIKeyIYXVWVHLIFWPEX-CHWSQXEVSA-N
MW214.31 g/mol
LogP3.83
Rot. Bonds

About (5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan

(5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan (PubChem CID 10608682) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan.

Molecular Properties

Compound Name(5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan
PubChem CID10608682
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan
SMILESC=C1Cc2occ(C)c2C[C@@H]2C(=C)CC[C@H]12
InChIInChI=1S/C15H18O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h8,12-13H,1-2,4-7H2,3H3/t12-,13-/m1/s1
InChIKeyIYXVWVHLIFWPEX-CHWSQXEVSA-N
XLogP3.83
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5,7-dihydro-4H-1-benzofuran-6-one
CID 71326738
[(4aS,8R,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8-yl] acetate
CID 15379133
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-1-benzofuran
CID 158199396
1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran
CID 163104060
3-methyl-4,5,6,7-tetrahydro-1-benzofuran
CID 3014055
3,8a-dimethyl-5-methylidene-4a,6,7,9-tetrahydro-4H-benzo[f][1]benzofuran-8-one
CID 131751397
(5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
CID 163194266
6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran
CID 22216621
(2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol
CID 10932014
(4aR,5S,8aS)-3-methyl-8-methylidene-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
CID 637423
2-(2,4-dimethylidenecyclohexyl)-1,3,5-trimethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 170590591
(1S,13S,17R)-17-hydroxy-4,9,13,17-tetramethyl-6-oxatricyclo[11.4.0.03,7]heptadeca-3(7),4,9,15-tetraen-14-one
CID 163027376

Frequently Asked Questions

What is the IUPAC name of (5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan?
The IUPAC name of (5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan (CID 10608682) is (5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan.
What is the SMILES notation for (5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan?
The canonical SMILES for (5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan is C=C1Cc2occ(C)c2C[C@@H]2C(=C)CC[C@H]12.
What is the InChIKey of (5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan?
The InChIKey is IYXVWVHLIFWPEX-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h8,12-13H,1-2,4-7H2,3H3/t12-,13-/m1/s1.
What are the key properties of (5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan?
(5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan has a molecular weight of 214.31 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,8aS)-1-methyl-5,8-dimethylidene-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan is sourced from PubChem (CID 10608682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).