[(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol

C20H30O2 — CID 24950833

IUPAC[(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol
SMILESC/C1=C/CC/C(C)=C/[C@@H]2OCC(CO)=C2CC/C(C)=C/CC1
InChIInChI=1S/C20H30O2/c1-15-6-4-8-16(2)10-11-19-18(13-21)14-22-20(19)12-17(3)9-5-7-15/h7-8,12,20-21H,4-6,9-11,13-14H2,1-3H3/b15-7-,16-8+,17-12+/t20-/m0/s1
InChIKeyDBNCAIQJJKDMHN-FXTGKKEZSA-N
MW302.46 g/mol
LogP4.87
Rot. Bonds1

About [(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol

[(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol (PubChem CID 24950833) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is [(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol.

Molecular Properties

Compound Name[(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol
PubChem CID24950833
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name[(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol
SMILESC/C1=C/CC/C(C)=C/[C@@H]2OCC(CO)=C2CC/C(C)=C/CC1
InChIInChI=1S/C20H30O2/c1-15-6-4-8-16(2)10-11-19-18(13-21)14-22-20(19)12-17(3)9-5-7-15/h7-8,12,20-21H,4-6,9-11,13-14H2,1-3H3/b15-7-,16-8+,17-12+/t20-/m0/s1
InChIKeyDBNCAIQJJKDMHN-FXTGKKEZSA-N
XLogP4.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol?
The IUPAC name of [(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol (CID 24950833) is [(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol.
What is the SMILES notation for [(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol?
The canonical SMILES for [(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol is C/C1=C/CC/C(C)=C/[C@@H]2OCC(CO)=C2CC/C(C)=C/CC1.
What is the InChIKey of [(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol?
The InChIKey is DBNCAIQJJKDMHN-FXTGKKEZSA-N. The full InChI is InChI=1S/C20H30O2/c1-15-6-4-8-16(2)10-11-19-18(13-21)14-22-20(19)12-17(3)9-5-7-15/h7-8,12,20-21H,4-6,9-11,13-14H2,1-3H3/b15-7-,16-8+,17-12+/t20-/m0/s1.
What are the key properties of [(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol?
[(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol has a molecular weight of 302.46 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol is sourced from PubChem (CID 24950833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).