[(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol

C20H32O2 — CID 10542577

IUPAC[(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol
SMILESC/C1=C\C=C(\C(C)C)CC[C@@]2(CO)O[C@H]2CC/C(C)=C/CC1
InChIInChI=1S/C20H32O2/c1-15(2)18-10-8-16(3)6-5-7-17(4)9-11-19-20(14-21,22-19)13-12-18/h7-8,10,15,19,21H,5-6,9,11-14H2,1-4H3/b16-8+,17-7+,18-10+/t19-,20-/m0/s1
InChIKeyUMASDLDVGGUCKS-HRSIJQSFSA-N
MW304.47 g/mol
LogP4.95
Rot. Bonds2

About [(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol

[(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol (PubChem CID 10542577) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is [(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol
PubChem CID10542577
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name[(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol
SMILESC/C1=C\C=C(\C(C)C)CC[C@@]2(CO)O[C@H]2CC/C(C)=C/CC1
InChIInChI=1S/C20H32O2/c1-15(2)18-10-8-16(3)6-5-7-17(4)9-11-19-20(14-21,22-19)13-12-18/h7-8,10,15,19,21H,5-6,9,11-14H2,1-4H3/b16-8+,17-7+,18-10+/t19-,20-/m0/s1
InChIKeyUMASDLDVGGUCKS-HRSIJQSFSA-N
XLogP4.95
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol?
The IUPAC name of [(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol (CID 10542577) is [(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol.
What is the SMILES notation for [(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol?
The canonical SMILES for [(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol is C/C1=C\C=C(\C(C)C)CC[C@@]2(CO)O[C@H]2CC/C(C)=C/CC1.
What is the InChIKey of [(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol?
The InChIKey is UMASDLDVGGUCKS-HRSIJQSFSA-N. The full InChI is InChI=1S/C20H32O2/c1-15(2)18-10-8-16(3)6-5-7-17(4)9-11-19-20(14-21,22-19)13-12-18/h7-8,10,15,19,21H,5-6,9,11-14H2,1-4H3/b16-8+,17-7+,18-10+/t19-,20-/m0/s1.
What are the key properties of [(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol?
[(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol has a molecular weight of 304.47 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4E,6E,10E,14S)-7,11-dimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-1-yl]methanol is sourced from PubChem (CID 10542577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).