(4S)-4-ethyl-2,5-dimethylhex-2-ene

C10H20 — CID 59076460

IUPAC(4S)-4-ethyl-2,5-dimethylhex-2-ene
SMILESCC[C@H](C=C(C)C)C(C)C
InChIInChI=1S/C10H20/c1-6-10(9(4)5)7-8(2)3/h7,9-10H,6H2,1-5H3/t10-/m1/s1
InChIKeyUGUNROGTPNGGRN-SNVBAGLBSA-N
MW140.27 g/mol
LogP3.63
Rot. Bonds3

About (4S)-4-ethyl-2,5-dimethylhex-2-ene

(4S)-4-ethyl-2,5-dimethylhex-2-ene (PubChem CID 59076460) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is (4S)-4-ethyl-2,5-dimethylhex-2-ene.

Molecular Properties

Compound Name(4S)-4-ethyl-2,5-dimethylhex-2-ene
PubChem CID59076460
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name(4S)-4-ethyl-2,5-dimethylhex-2-ene
SMILESCC[C@H](C=C(C)C)C(C)C
InChIInChI=1S/C10H20/c1-6-10(9(4)5)7-8(2)3/h7,9-10H,6H2,1-5H3/t10-/m1/s1
InChIKeyUGUNROGTPNGGRN-SNVBAGLBSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4S)-4-ethyl-2,5-dimethylhex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-2,4-dimethylhex-2-ene
CID 142611901
(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-ol
CID 11030809
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
2,4,6-trimethylhept-2-ene
CID 558039
6-ethyl-2,4,5,8-tetramethylnon-2-ene
CID 123866412
4-hydroperoxy-2-methylhex-2-ene
CID 12949724
(4R,6S)-2,4,6,7-tetramethyloct-2-ene
CID 59787440
N-ethyl-5-methylhex-4-en-3-amine
CID 79190287
(4R)-2,4,5,5-tetramethylhex-2-ene
CID 172513214
(1S,2S)-2-amino-1-[1-[(2S)-4-methyl-2-propan-2-ylpent-3-enyl]cyclohexyl]propan-1-ol
CID 70107117
(4R)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene
CID 11746813
5-ethyl-6-methylhepta-1,3-diene
CID 91204773

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-2,5-dimethylhex-2-ene?
The IUPAC name of (4S)-4-ethyl-2,5-dimethylhex-2-ene (CID 59076460) is (4S)-4-ethyl-2,5-dimethylhex-2-ene.
What is the SMILES notation for (4S)-4-ethyl-2,5-dimethylhex-2-ene?
The canonical SMILES for (4S)-4-ethyl-2,5-dimethylhex-2-ene is CC[C@H](C=C(C)C)C(C)C.
What is the InChIKey of (4S)-4-ethyl-2,5-dimethylhex-2-ene?
The InChIKey is UGUNROGTPNGGRN-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20/c1-6-10(9(4)5)7-8(2)3/h7,9-10H,6H2,1-5H3/t10-/m1/s1.
What are the key properties of (4S)-4-ethyl-2,5-dimethylhex-2-ene?
(4S)-4-ethyl-2,5-dimethylhex-2-ene has a molecular weight of 140.27 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-2,5-dimethylhex-2-ene is sourced from PubChem (CID 59076460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).