(E)-2,6,10-trimethylpentadec-9-en-6-ol

C18H36O — CID 129151559

IUPAC(E)-2,6,10-trimethylpentadec-9-en-6-ol
SMILESCCCCC/C(C)=C/CCC(C)(O)CCCC(C)C
InChIInChI=1S/C18H36O/c1-6-7-8-12-17(4)13-10-15-18(5,19)14-9-11-16(2)3/h13,16,19H,6-12,14-15H2,1-5H3/b17-13+
InChIKeyDMHHHXGTANBAEE-GHRIWEEISA-N
MW268.48 g/mol
LogP5.87
Rot. Bonds11

About (E)-2,6,10-trimethylpentadec-9-en-6-ol

(E)-2,6,10-trimethylpentadec-9-en-6-ol (PubChem CID 129151559) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is (E)-2,6,10-trimethylpentadec-9-en-6-ol.

Molecular Properties

Compound Name(E)-2,6,10-trimethylpentadec-9-en-6-ol
PubChem CID129151559
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name(E)-2,6,10-trimethylpentadec-9-en-6-ol
SMILESCCCCC/C(C)=C/CCC(C)(O)CCCC(C)C
InChIInChI=1S/C18H36O/c1-6-7-8-12-17(4)13-10-15-18(5,19)14-9-11-16(2)3/h13,16,19H,6-12,14-15H2,1-5H3/b17-13+
InChIKeyDMHHHXGTANBAEE-GHRIWEEISA-N
XLogP5.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7,11-trimethylhexadeca-6,10-dien-3-ol
CID 72571502
(E)-6,10-dimethylpentadec-10-ene-2,6-diol
CID 129151722
2-[(3S,6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10-dienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 67131572
(E)-2,2-dimethoxy-6,10-dimethylundec-5-ene
CID 23352870
(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
CID 15602246
2,2-diethoxy-6,10,14-trimethylpentadec-5-ene
CID 150121386
2-[(6E,10E)-3-hydroxy-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10-dienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 54591644
4,9-dimethyldec-3-ene
CID 91170380
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242
[(E)-2-hydroperoxy-6,10-dimethylundec-5-en-2-yl] nitrite
CID 163709313
4-hexoxy-3-[(E)-11-hydroxy-3,7,11-trimethylhexadec-7-enyl]-5,6-dimethylcyclohex-2-en-1-ol
CID 59271513
7-methyloctadec-7-ene
CID 123477460

Frequently Asked Questions

What is the IUPAC name of (E)-2,6,10-trimethylpentadec-9-en-6-ol?
The IUPAC name of (E)-2,6,10-trimethylpentadec-9-en-6-ol (CID 129151559) is (E)-2,6,10-trimethylpentadec-9-en-6-ol.
What is the SMILES notation for (E)-2,6,10-trimethylpentadec-9-en-6-ol?
The canonical SMILES for (E)-2,6,10-trimethylpentadec-9-en-6-ol is CCCCC/C(C)=C/CCC(C)(O)CCCC(C)C.
What is the InChIKey of (E)-2,6,10-trimethylpentadec-9-en-6-ol?
The InChIKey is DMHHHXGTANBAEE-GHRIWEEISA-N. The full InChI is InChI=1S/C18H36O/c1-6-7-8-12-17(4)13-10-15-18(5,19)14-9-11-16(2)3/h13,16,19H,6-12,14-15H2,1-5H3/b17-13+.
What are the key properties of (E)-2,6,10-trimethylpentadec-9-en-6-ol?
(E)-2,6,10-trimethylpentadec-9-en-6-ol has a molecular weight of 268.48 g/mol, XLogP of 5.87, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6,10-trimethylpentadec-9-en-6-ol is sourced from PubChem (CID 129151559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).