5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol

C20H32O — CID 73177236

IUPAC5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol
SMILESCC1=CC=C(C(C)C)C(O)CC(C)=CCCC(C)=CCC1
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
InChIKeyYADVRLOQIWILGX-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.73
Rot. Bonds1

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

5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol (PubChem CID 73177236) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol.

Molecular Properties

Compound Name5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol
PubChem CID73177236
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol
SMILESCC1=CC=C(C(C)C)C(O)CC(C)=CCCC(C)=CCC1
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
InChIKeyYADVRLOQIWILGX-UHFFFAOYSA-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 5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol?
The IUPAC name of 5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol (CID 73177236) is 5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol.
What is the SMILES notation for 5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol?
The canonical SMILES for 5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol is CC1=CC=C(C(C)C)C(O)CC(C)=CCCC(C)=CCC1.
What is the InChIKey of 5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol?
The InChIKey is YADVRLOQIWILGX-UHFFFAOYSA-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.
What are the key properties of 5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol?
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 5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol is sourced from PubChem (CID 73177236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).