6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol

C20H32O2 — CID 73073713

IUPAC6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
SMILESCC1=CC=C(C(C)C)C(O)C(O)C(C)=CCCC(C)=CCC1
InChIInChI=1S/C20H32O2/c1-14(2)18-13-12-16(4)9-6-8-15(3)10-7-11-17(5)19(21)20(18)22/h8,11-14,19-22H,6-7,9-10H2,1-5H3
InChIKeyLBNWKNLAXODPTN-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.70
Rot. Bonds1

About 6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol

6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol (PubChem CID 73073713) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol.

Molecular Properties

Compound Name6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
PubChem CID73073713
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
SMILESCC1=CC=C(C(C)C)C(O)C(O)C(C)=CCCC(C)=CCC1
InChIInChI=1S/C20H32O2/c1-14(2)18-13-12-16(4)9-6-8-15(3)10-7-11-17(5)19(21)20(18)22/h8,11-14,19-22H,6-7,9-10H2,1-5H3
InChIKeyLBNWKNLAXODPTN-UHFFFAOYSA-N
XLogP4.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol?
The IUPAC name of 6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol (CID 73073713) is 6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol.
What is the SMILES notation for 6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol?
The canonical SMILES for 6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol is CC1=CC=C(C(C)C)C(O)C(O)C(C)=CCCC(C)=CCC1.
What is the InChIKey of 6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol?
The InChIKey is LBNWKNLAXODPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-14(2)18-13-12-16(4)9-6-8-15(3)10-7-11-17(5)19(21)20(18)22/h8,11-14,19-22H,6-7,9-10H2,1-5H3.
What are the key properties of 6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol?
6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol has a molecular weight of 304.47 g/mol, XLogP of 4.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol is sourced from PubChem (CID 73073713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).