2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol

C20H32O2 — CID 10518633

IUPAC2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol
SMILESC/C1=C\C=C(\C(C)(C)O)CC[C@@]2(C)O[C@@H]2CC/C(C)=C/CC1
InChIInChI=1S/C20H32O2/c1-15-7-6-8-16(2)10-12-18-20(5,22-18)14-13-17(11-9-15)19(3,4)21/h8-9,11,18,21H,6-7,10,12-14H2,1-5H3/b15-9+,16-8+,17-11+/t18-,20-/m1/s1
InChIKeyKBVHBTUQNQIBFR-HNJOAKRKSA-N
MW304.47 g/mol
LogP5.09
Rot. Bonds1

About 2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol

2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol (PubChem CID 10518633) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol
PubChem CID10518633
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol
SMILESC/C1=C\C=C(\C(C)(C)O)CC[C@@]2(C)O[C@@H]2CC/C(C)=C/CC1
InChIInChI=1S/C20H32O2/c1-15-7-6-8-16(2)10-12-18-20(5,22-18)14-13-17(11-9-15)19(3,4)21/h8-9,11,18,21H,6-7,10,12-14H2,1-5H3/b15-9+,16-8+,17-11+/t18-,20-/m1/s1
InChIKeyKBVHBTUQNQIBFR-HNJOAKRKSA-N
XLogP5.09
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.09
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 2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol?
The IUPAC name of 2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol (CID 10518633) is 2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol.
What is the SMILES notation for 2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol?
The canonical SMILES for 2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol is C/C1=C\C=C(\C(C)(C)O)CC[C@@]2(C)O[C@@H]2CC/C(C)=C/CC1.
What is the InChIKey of 2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol?
The InChIKey is KBVHBTUQNQIBFR-HNJOAKRKSA-N. The full InChI is InChI=1S/C20H32O2/c1-15-7-6-8-16(2)10-12-18-20(5,22-18)14-13-17(11-9-15)19(3,4)21/h8-9,11,18,21H,6-7,10,12-14H2,1-5H3/b15-9+,16-8+,17-11+/t18-,20-/m1/s1.
What are the key properties of 2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol?
2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol has a molecular weight of 304.47 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4E,6E,10E,14R)-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-4-yl]propan-2-ol is sourced from PubChem (CID 10518633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).