[(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol

C20H34O2 — CID 155526464

IUPAC[(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol
SMILESC/C1=C\C=C(\C(C)C)CC[C@]2(C)O[C@H]2CC[C@@H](CO)CCC1
InChIInChI=1S/C20H34O2/c1-15(2)18-10-8-16(3)6-5-7-17(14-21)9-11-19-20(4,22-19)13-12-18/h8,10,15,17,19,21H,5-7,9,11-14H2,1-4H3/b16-8+,18-10+/t17-,19-,20-/m0/s1
InChIKeyNZOSYISUDYDDRR-QNASQVOTSA-N
MW306.49 g/mol
LogP5.03
Rot. Bonds2

About [(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol

[(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol (PubChem CID 155526464) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is [(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol.

Molecular Properties

Compound Name[(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol
PubChem CID155526464
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name[(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol
SMILESC/C1=C\C=C(\C(C)C)CC[C@]2(C)O[C@H]2CC[C@@H](CO)CCC1
InChIInChI=1S/C20H34O2/c1-15(2)18-10-8-16(3)6-5-7-17(14-21)9-11-19-20(4,22-19)13-12-18/h8,10,15,17,19,21H,5-7,9,11-14H2,1-4H3/b16-8+,18-10+/t17-,19-,20-/m0/s1
InChIKeyNZOSYISUDYDDRR-QNASQVOTSA-N
XLogP5.03
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol?
The IUPAC name of [(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol (CID 155526464) is [(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol.
What is the SMILES notation for [(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol?
The canonical SMILES for [(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol is C/C1=C\C=C(\C(C)C)CC[C@]2(C)O[C@H]2CC[C@@H](CO)CCC1.
What is the InChIKey of [(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol?
The InChIKey is NZOSYISUDYDDRR-QNASQVOTSA-N. The full InChI is InChI=1S/C20H34O2/c1-15(2)18-10-8-16(3)6-5-7-17(14-21)9-11-19-20(4,22-19)13-12-18/h8,10,15,17,19,21H,5-7,9,11-14H2,1-4H3/b16-8+,18-10+/t17-,19-,20-/m0/s1.
What are the key properties of [(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol?
[(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol has a molecular weight of 306.49 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol is sourced from PubChem (CID 155526464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).