(1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol

C20H32O2 — CID 162884566

IUPAC(1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol
SMILESC=C(C)[C@H]1C[C@@H](O)C(C)=CCCC(C)=CCC[C@@]2(C)O[C@@H]2C1
InChIInChI=1S/C20H32O2/c1-14(2)17-12-18(21)16(4)10-6-8-15(3)9-7-11-20(5)19(13-17)22-20/h9-10,17-19,21H,1,6-8,11-13H2,2-5H3/t17-,18+,19+,20+/m0/s1
InChIKeyREZWVJDBCVAQGX-MTQWCTHYSA-N
MW304.47 g/mol
LogP4.94
Rot. Bonds1

About (1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol

(1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol (PubChem CID 162884566) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol.

Molecular Properties

Compound Name(1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol
PubChem CID162884566
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol
SMILESC=C(C)[C@H]1C[C@@H](O)C(C)=CCCC(C)=CCC[C@@]2(C)O[C@@H]2C1
InChIInChI=1S/C20H32O2/c1-14(2)17-12-18(21)16(4)10-6-8-15(3)9-7-11-20(5)19(13-17)22-20/h9-10,17-19,21H,1,6-8,11-13H2,2-5H3/t17-,18+,19+,20+/m0/s1
InChIKeyREZWVJDBCVAQGX-MTQWCTHYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol?
The IUPAC name of (1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol (CID 162884566) is (1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol.
What is the SMILES notation for (1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol?
The canonical SMILES for (1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol is C=C(C)[C@H]1C[C@@H](O)C(C)=CCCC(C)=CCC[C@@]2(C)O[C@@H]2C1.
What is the InChIKey of (1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol?
The InChIKey is REZWVJDBCVAQGX-MTQWCTHYSA-N. The full InChI is InChI=1S/C20H32O2/c1-14(2)17-12-18(21)16(4)10-6-8-15(3)9-7-11-20(5)19(13-17)22-20/h9-10,17-19,21H,1,6-8,11-13H2,2-5H3/t17-,18+,19+,20+/m0/s1.
What are the key properties of (1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol?
(1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-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,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol is sourced from PubChem (CID 162884566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).