(1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol

C20H32O — CID 90477416

IUPAC(1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol
SMILESCC1=C/C/C=C(/C)C[C@@H](O)/C=C(/C)CC[C@@H](C(C)C)/C=C\1
InChIInChI=1S/C20H32O/c1-15(2)19-11-9-16(3)7-6-8-17(4)13-20(21)14-18(5)10-12-19/h7-9,11,14-15,19-21H,6,10,12-13H2,1-5H3/b11-9-,16-7-,17-8-,18-14-/t19-,20+/m0/s1
InChIKeyUISPGBUXWMMCCP-CPPGVPBOSA-N
MW288.48 g/mol
LogP5.59
Rot. Bonds1

About (1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol

(1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol (PubChem CID 90477416) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol.

Molecular Properties

Compound Name(1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol
PubChem CID90477416
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol
SMILESCC1=C/C/C=C(/C)C[C@@H](O)/C=C(/C)CC[C@@H](C(C)C)/C=C\1
InChIInChI=1S/C20H32O/c1-15(2)19-11-9-16(3)7-6-8-17(4)13-20(21)14-18(5)10-12-19/h7-9,11,14-15,19-21H,6,10,12-13H2,1-5H3/b11-9-,16-7-,17-8-,18-14-/t19-,20+/m0/s1
InChIKeyUISPGBUXWMMCCP-CPPGVPBOSA-N
XLogP5.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol?
The IUPAC name of (1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol (CID 90477416) is (1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol.
What is the SMILES notation for (1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol?
The canonical SMILES for (1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol is CC1=C/C/C=C(/C)C[C@@H](O)/C=C(/C)CC[C@@H](C(C)C)/C=C\1.
What is the InChIKey of (1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol?
The InChIKey is UISPGBUXWMMCCP-CPPGVPBOSA-N. The full InChI is InChI=1S/C20H32O/c1-15(2)19-11-9-16(3)7-6-8-17(4)13-20(21)14-18(5)10-12-19/h7-9,11,14-15,19-21H,6,10,12-13H2,1-5H3/b11-9-,16-7-,17-8-,18-14-/t19-,20+/m0/s1.
What are the key properties of (1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol?
(1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z,6S,7Z,9Z,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol is sourced from PubChem (CID 90477416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).