(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol

C20H32O2 — CID 10086404

IUPAC(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol
SMILESC/C1=C\C=C(\C(C)C)[C@@H](O)C/C(C)=C/CC[C@@]2(C)O[C@@H]2CC1
InChIInChI=1S/C20H32O2/c1-14(2)17-10-8-15(3)9-11-19-20(5,22-19)12-6-7-16(4)13-18(17)21/h7-8,10,14,18-19,21H,6,9,11-13H2,1-5H3/b15-8+,16-7+,17-10-/t18-,19+,20+/m0/s1
InChIKeyPCMPUZKTDZWKHY-HYDUYDDSSA-N
MW304.47 g/mol
LogP4.94
Rot. Bonds1

About (1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol

(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol (PubChem CID 10086404) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol.

Molecular Properties

Compound Name(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol
PubChem CID10086404
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol
SMILESC/C1=C\C=C(\C(C)C)[C@@H](O)C/C(C)=C/CC[C@@]2(C)O[C@@H]2CC1
InChIInChI=1S/C20H32O2/c1-14(2)17-10-8-15(3)9-11-19-20(5,22-19)12-6-7-16(4)13-18(17)21/h7-8,10,14,18-19,21H,6,9,11-13H2,1-5H3/b15-8+,16-7+,17-10-/t18-,19+,20+/m0/s1
InChIKeyPCMPUZKTDZWKHY-HYDUYDDSSA-N
XLogP4.94
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.94
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 (1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol?
The IUPAC name of (1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol (CID 10086404) is (1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol.
What is the SMILES notation for (1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol?
The canonical SMILES for (1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol is C/C1=C\C=C(\C(C)C)[C@@H](O)C/C(C)=C/CC[C@@]2(C)O[C@@H]2CC1.
What is the InChIKey of (1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol?
The InChIKey is PCMPUZKTDZWKHY-HYDUYDDSSA-N. The full InChI is InChI=1S/C20H32O2/c1-14(2)17-10-8-15(3)9-11-19-20(5,22-19)12-6-7-16(4)13-18(17)21/h7-8,10,14,18-19,21H,6,9,11-13H2,1-5H3/b15-8+,16-7+,17-10-/t18-,19+,20+/m0/s1.
What are the key properties of (1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol?
(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol has a molecular weight of 304.47 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-ol is sourced from PubChem (CID 10086404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).