(3R,7S)-3,7,11-trimethyldodec-1-ene

C15H30 — CID 25113592

IUPAC(3R,7S)-3,7,11-trimethyldodec-1-ene
SMILESC=C[C@H](C)CCC[C@@H](C)CCCC(C)C
InChIInChI=1S/C15H30/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,13-15H,1,7-12H2,2-5H3/t14-,15-/m0/s1
InChIKeyYRTZHYFUDNIOGV-GJZGRUSLSA-N
MW210.41 g/mol
LogP5.44
Rot. Bonds9

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

(3R,7S)-3,7,11-trimethyldodec-1-ene (PubChem CID 25113592) has the molecular formula C15H30 and a molecular weight of 210.41 g/mol. Its IUPAC name is (3R,7S)-3,7,11-trimethyldodec-1-ene.

Molecular Properties

Compound Name(3R,7S)-3,7,11-trimethyldodec-1-ene
PubChem CID25113592
Molecular FormulaC15H30
Molecular Weight210.41 g/mol
Exact Mass210.23
IUPAC Name(3R,7S)-3,7,11-trimethyldodec-1-ene
SMILESC=C[C@H](C)CCC[C@@H](C)CCCC(C)C
InChIInChI=1S/C15H30/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,13-15H,1,7-12H2,2-5H3/t14-,15-/m0/s1
InChIKeyYRTZHYFUDNIOGV-GJZGRUSLSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.41
LogP ≤ 55.44
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

6-Methyl-1-heptene
CID 21122
1-Heptene, 5-methyl-
CID 99888
3-Methyl-1-heptene
CID 20946
Allylcyclohexane
CID 75027
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
(+-)-N,N-Dimethyl menthyl succinamide
CID 544714

Frequently Asked Questions

What is the IUPAC name of (3R,7S)-3,7,11-trimethyldodec-1-ene?
The IUPAC name of (3R,7S)-3,7,11-trimethyldodec-1-ene (CID 25113592) is (3R,7S)-3,7,11-trimethyldodec-1-ene.
What is the SMILES notation for (3R,7S)-3,7,11-trimethyldodec-1-ene?
The canonical SMILES for (3R,7S)-3,7,11-trimethyldodec-1-ene is C=C[C@H](C)CCC[C@@H](C)CCCC(C)C.
What is the InChIKey of (3R,7S)-3,7,11-trimethyldodec-1-ene?
The InChIKey is YRTZHYFUDNIOGV-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H30/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,13-15H,1,7-12H2,2-5H3/t14-,15-/m0/s1.
What are the key properties of (3R,7S)-3,7,11-trimethyldodec-1-ene?
(3R,7S)-3,7,11-trimethyldodec-1-ene has a molecular weight of 210.41 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S)-3,7,11-trimethyldodec-1-ene is sourced from PubChem (CID 25113592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).