(E)-3-propan-2-ylhex-2-ene

C9H18 — CID 142020071

IUPAC(E)-3-propan-2-ylhex-2-ene
SMILESC/C=C(\CCC)C(C)C
InChIInChI=1S/C9H18/c1-5-7-9(6-2)8(3)4/h6,8H,5,7H2,1-4H3/b9-6+
InChIKeyXLEGWGXPZFMMDV-RMKNXTFCSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds3

About (E)-3-propan-2-ylhex-2-ene

(E)-3-propan-2-ylhex-2-ene (PubChem CID 142020071) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (E)-3-propan-2-ylhex-2-ene.

Molecular Properties

Compound Name(E)-3-propan-2-ylhex-2-ene
PubChem CID142020071
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(E)-3-propan-2-ylhex-2-ene
SMILESC/C=C(\CCC)C(C)C
InChIInChI=1S/C9H18/c1-5-7-9(6-2)8(3)4/h6,8H,5,7H2,1-4H3/b9-6+
InChIKeyXLEGWGXPZFMMDV-RMKNXTFCSA-N
XLogP3.39
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 ≤ 53.39
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-ethylidenepentane-1,1-diol
CID 174458356
4,8-di(propan-2-yl)undeca-4,7-dien-6-one
CID 139998521
(4Z)-4-ethylidene-5-methylnonane
CID 142307818
(3Z)-4-propan-2-ylhepta-1,3-dien-2-amine
CID 129269311
(Z)-6,7-dimethyl-3-propan-2-yloct-2-ene
CID 58663285
[(2Z)-2-ethylidene-1-hydroxypentyl] formate
CID 143018862
ethane;(5E)-5-propan-2-ylhepta-1,5-diene
CID 142226106
5-methyl-3-propan-2-yloct-2-ene
CID 123290549
2-propan-2-ylbut-2-en-1-ol
CID 76567926
(3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene
CID 167100921
(Z)-6-nitroso-3-propan-2-ylhex-2-ene
CID 163554902
4-ethylidene-3-methyloctane
CID 90798217

Frequently Asked Questions

What is the IUPAC name of (E)-3-propan-2-ylhex-2-ene?
The IUPAC name of (E)-3-propan-2-ylhex-2-ene (CID 142020071) is (E)-3-propan-2-ylhex-2-ene.
What is the SMILES notation for (E)-3-propan-2-ylhex-2-ene?
The canonical SMILES for (E)-3-propan-2-ylhex-2-ene is C/C=C(\CCC)C(C)C.
What is the InChIKey of (E)-3-propan-2-ylhex-2-ene?
The InChIKey is XLEGWGXPZFMMDV-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H18/c1-5-7-9(6-2)8(3)4/h6,8H,5,7H2,1-4H3/b9-6+.
What are the key properties of (E)-3-propan-2-ylhex-2-ene?
(E)-3-propan-2-ylhex-2-ene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-propan-2-ylhex-2-ene is sourced from PubChem (CID 142020071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).