(4S)-2,3,4-trimethylhex-1-ene

C9H18 — CID 169204479

IUPAC(4S)-2,3,4-trimethylhex-1-ene
SMILESC=C(C)C(C)[C@@H](C)CC
InChIInChI=1S/C9H18/c1-6-8(4)9(5)7(2)3/h8-9H,2,6H2,1,3-5H3/t8-,9?/m0/s1
InChIKeyOQDSVTZNJJOWBJ-IENPIDJESA-N
MW126.24 g/mol
LogP3.24
Rot. Bonds3

About (4S)-2,3,4-trimethylhex-1-ene

(4S)-2,3,4-trimethylhex-1-ene (PubChem CID 169204479) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (4S)-2,3,4-trimethylhex-1-ene.

Molecular Properties

Compound Name(4S)-2,3,4-trimethylhex-1-ene
PubChem CID169204479
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(4S)-2,3,4-trimethylhex-1-ene
SMILESC=C(C)C(C)[C@@H](C)CC
InChIInChI=1S/C9H18/c1-6-8(4)9(5)7(2)3/h8-9H,2,6H2,1,3-5H3/t8-,9?/m0/s1
InChIKeyOQDSVTZNJJOWBJ-IENPIDJESA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.24
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

2,3,4-trimethyltetradec-1-ene
CID 123582556
(3S)-N,N,3,4-tetramethylhex-1-en-2-amine
CID 142994233
acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene
CID 163218839
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395
triethoxy(3,4,5-trimethylhex-5-enyl)silane
CID 87112408
4-ethyl-2,3-dimethylhexa-1,5-diene
CID 54442334
2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene
CID 123989375
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
2,3-dimethylpent-1-ene;ethane
CID 143286891
2-methyl-1-prop-1-en-2-yloxybutane
CID 123339026
4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene
CID 123860888
2,3,4-trimethyl-5-methylideneoct-1-ene
CID 91393907

Frequently Asked Questions

What is the IUPAC name of (4S)-2,3,4-trimethylhex-1-ene?
The IUPAC name of (4S)-2,3,4-trimethylhex-1-ene (CID 169204479) is (4S)-2,3,4-trimethylhex-1-ene.
What is the SMILES notation for (4S)-2,3,4-trimethylhex-1-ene?
The canonical SMILES for (4S)-2,3,4-trimethylhex-1-ene is C=C(C)C(C)[C@@H](C)CC.
What is the InChIKey of (4S)-2,3,4-trimethylhex-1-ene?
The InChIKey is OQDSVTZNJJOWBJ-IENPIDJESA-N. The full InChI is InChI=1S/C9H18/c1-6-8(4)9(5)7(2)3/h8-9H,2,6H2,1,3-5H3/t8-,9?/m0/s1.
What are the key properties of (4S)-2,3,4-trimethylhex-1-ene?
(4S)-2,3,4-trimethylhex-1-ene has a molecular weight of 126.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,3,4-trimethylhex-1-ene is sourced from PubChem (CID 169204479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).