(6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol

C20H30O2 — CID 91404243

IUPAC(6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol
SMILESCC(=CCC[C@H](C)C=CC=C(C)CCCc1ccoc1)CO
InChIInChI=1S/C20H30O2/c1-17(9-5-11-19(3)15-21)7-4-8-18(2)10-6-12-20-13-14-22-16-20/h4,7-8,11,13-14,16-17,21H,5-6,9-10,12,15H2,1-3H3/t17-/m1/s1
InChIKeyWXRUCWWVZFYDSA-QGZVFWFLSA-N
MW302.46 g/mol
LogP5.46
Rot. Bonds10

About (6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol

(6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol (PubChem CID 91404243) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol.

Molecular Properties

Compound Name(6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol
PubChem CID91404243
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol
SMILESCC(=CCC[C@H](C)C=CC=C(C)CCCc1ccoc1)CO
InChIInChI=1S/C20H30O2/c1-17(9-5-11-19(3)15-21)7-4-8-18(2)10-6-12-20-13-14-22-16-20/h4,7-8,11,13-14,16-17,21H,5-6,9-10,12,15H2,1-3H3/t17-/m1/s1
InChIKeyWXRUCWWVZFYDSA-QGZVFWFLSA-N
XLogP5.46
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol?
The IUPAC name of (6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol (CID 91404243) is (6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol.
What is the SMILES notation for (6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol?
The canonical SMILES for (6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol is CC(=CCC[C@H](C)C=CC=C(C)CCCc1ccoc1)CO.
What is the InChIKey of (6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol?
The InChIKey is WXRUCWWVZFYDSA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30O2/c1-17(9-5-11-19(3)15-21)7-4-8-18(2)10-6-12-20-13-14-22-16-20/h4,7-8,11,13-14,16-17,21H,5-6,9-10,12,15H2,1-3H3/t17-/m1/s1.
What are the key properties of (6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol?
(6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol has a molecular weight of 302.46 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-ol is sourced from PubChem (CID 91404243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).