7,11,15-trimethylhexadeca-1,3-dien-8-ol

C19H36O — CID 123235755

IUPAC7,11,15-trimethylhexadeca-1,3-dien-8-ol
SMILESC=CC=CCCC(C)C(O)CCC(C)CCCC(C)C
InChIInChI=1S/C19H36O/c1-6-7-8-9-13-18(5)19(20)15-14-17(4)12-10-11-16(2)3/h6-8,16-20H,1,9-15H2,2-5H3
InChIKeyDCZMBOKYNMITNS-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.75
Rot. Bonds12

About 7,11,15-trimethylhexadeca-1,3-dien-8-ol

7,11,15-trimethylhexadeca-1,3-dien-8-ol (PubChem CID 123235755) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 7,11,15-trimethylhexadeca-1,3-dien-8-ol.

Molecular Properties

Compound Name7,11,15-trimethylhexadeca-1,3-dien-8-ol
PubChem CID123235755
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name7,11,15-trimethylhexadeca-1,3-dien-8-ol
SMILESC=CC=CCCC(C)C(O)CCC(C)CCCC(C)C
InChIInChI=1S/C19H36O/c1-6-7-8-9-13-18(5)19(20)15-14-17(4)12-10-11-16(2)3/h6-8,16-20H,1,9-15H2,2-5H3
InChIKeyDCZMBOKYNMITNS-UHFFFAOYSA-N
XLogP5.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11-methyldodeca-1,3-diene
CID 154156925
(6E)-2-methylnona-6,8-dien-3-ol
CID 14545535
(3Z,5Z)-10-methylundeca-1,3,5-triene
CID 172592862
6,10,14-trimethylpentadeca-1,3,5-triene
CID 154255847
2,5,9,13-tetramethyltetradecane
CID 58292409
(4E,6Z)-nona-4,6,8-triene-1,1-diol
CID 153499491
(1S,4R,5S)-1-amino-5,9-dimethyldecane-1,4-diol
CID 163672470
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
(3R,4R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene-3,4-diol
CID 162957304
(3R,7S)-3,7,11-trimethyldodec-1-ene
CID 25113592
(7E)-deca-7,9-dien-4-ol
CID 46176590
(6E)-nona-6,8-dien-1-yn-3-ol
CID 15469634

Frequently Asked Questions

What is the IUPAC name of 7,11,15-trimethylhexadeca-1,3-dien-8-ol?
The IUPAC name of 7,11,15-trimethylhexadeca-1,3-dien-8-ol (CID 123235755) is 7,11,15-trimethylhexadeca-1,3-dien-8-ol.
What is the SMILES notation for 7,11,15-trimethylhexadeca-1,3-dien-8-ol?
The canonical SMILES for 7,11,15-trimethylhexadeca-1,3-dien-8-ol is C=CC=CCCC(C)C(O)CCC(C)CCCC(C)C.
What is the InChIKey of 7,11,15-trimethylhexadeca-1,3-dien-8-ol?
The InChIKey is DCZMBOKYNMITNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-6-7-8-9-13-18(5)19(20)15-14-17(4)12-10-11-16(2)3/h6-8,16-20H,1,9-15H2,2-5H3.
What are the key properties of 7,11,15-trimethylhexadeca-1,3-dien-8-ol?
7,11,15-trimethylhexadeca-1,3-dien-8-ol has a molecular weight of 280.50 g/mol, XLogP of 5.75, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11,15-trimethylhexadeca-1,3-dien-8-ol is sourced from PubChem (CID 123235755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).