(1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol

C20H32O — CID 6442200

IUPAC(1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol
SMILESC/C1=C/C=C(/C(C)C)[C@@H](O)C/C(C)=C\CC/C(C)=C\CC1
InChIInChI=1S/C20H32O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h8,11-13,15,20-21H,6-7,9-10,14H2,1-5H3/b16-8-,17-12-,18-11-,19-13-/t20-/m0/s1
InChIKeyYADVRLOQIWILGX-FQRHUOSTSA-N
MW288.48 g/mol
LogP5.73
Rot. Bonds1

About (1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol

(1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol (PubChem CID 6442200) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol.

Molecular Properties

Compound Name(1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol
PubChem CID6442200
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol
SMILESC/C1=C/C=C(/C(C)C)[C@@H](O)C/C(C)=C\CC/C(C)=C\CC1
InChIInChI=1S/C20H32O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h8,11-13,15,20-21H,6-7,9-10,14H2,1-5H3/b16-8-,17-12-,18-11-,19-13-/t20-/m0/s1
InChIKeyYADVRLOQIWILGX-FQRHUOSTSA-N
XLogP5.73
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 ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol?
The IUPAC name of (1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol (CID 6442200) is (1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol.
What is the SMILES notation for (1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol?
The canonical SMILES for (1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol is C/C1=C/C=C(/C(C)C)[C@@H](O)C/C(C)=C\CC/C(C)=C\CC1.
What is the InChIKey of (1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol?
The InChIKey is YADVRLOQIWILGX-FQRHUOSTSA-N. The full InChI is InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h8,11-13,15,20-21H,6-7,9-10,14H2,1-5H3/b16-8-,17-12-,18-11-,19-13-/t20-/m0/s1.
What are the key properties of (1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol?
(1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol is sourced from PubChem (CID 6442200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).