(3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene

C20H40 — CID 163036615

IUPAC(3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene
SMILESC=C[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C
InChIInChI=1S/C20H40/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17-20H,1,8-16H2,2-6H3/t18-,19-,20+/m0/s1
InChIKeyXQNRAQZFPXUCOT-SLFFLAALSA-N
MW280.54 g/mol
LogP7.25
Rot. Bonds13

About (3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene

(3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene (PubChem CID 163036615) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is (3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene.

Molecular Properties

Compound Name(3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene
PubChem CID163036615
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name(3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene
SMILESC=C[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C
InChIInChI=1S/C20H40/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17-20H,1,8-16H2,2-6H3/t18-,19-,20+/m0/s1
InChIKeyXQNRAQZFPXUCOT-SLFFLAALSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Neophytadiene
CID 10446
3,7-Dimethyloct-1-ene
CID 21085
10-Methyl-1-undecene
CID 519941
Vinylcyclooctane
CID 93331
8-Methyldec-1-ene
CID 521957
3,4-Dimethyl-1-decene
CID 545635
2,6,10,15,19,23-Hexamethyltetracosene
CID 6437646
4,6,8-Trimethyl-1-nonene
CID 41077
8-Methyl-1-undecene
CID 522552
7-Methyl-1-undecene
CID 522554
1,8-Nonadiene, 2,7-dimethyl-5-(1-methylethenyl)-
CID 572166
3,7,11,15-Tetramethyl-2-hexadecene
CID 5366161

Frequently Asked Questions

What is the IUPAC name of (3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene?
The IUPAC name of (3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene (CID 163036615) is (3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene.
What is the SMILES notation for (3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene?
The canonical SMILES for (3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene is C=C[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C.
What is the InChIKey of (3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene?
The InChIKey is XQNRAQZFPXUCOT-SLFFLAALSA-N. The full InChI is InChI=1S/C20H40/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17-20H,1,8-16H2,2-6H3/t18-,19-,20+/m0/s1.
What are the key properties of (3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene?
(3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene has a molecular weight of 280.54 g/mol, XLogP of 7.25, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene is sourced from PubChem (CID 163036615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).