(Z)-but-2-ene;3-methylheptane

C12H26 — CID 155572467

IUPAC(Z)-but-2-ene;3-methylheptane
SMILESC/C=C\C.CCCCC(C)CC
InChIInChI=1S/C8H18.C4H8/c1-4-6-7-8(3)5-2;1-3-4-2/h8H,4-7H2,1-3H3;3-4H,1-2H3/b;4-3-
InChIKeyFDFVHOYUZXEKNZ-QGAMPUOQSA-N
MW170.34 g/mol
LogP4.81
Rot. Bonds4

About (Z)-but-2-ene;3-methylheptane

(Z)-but-2-ene;3-methylheptane (PubChem CID 155572467) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is (Z)-but-2-ene;3-methylheptane.

Molecular Properties

Compound Name(Z)-but-2-ene;3-methylheptane
PubChem CID155572467
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name(Z)-but-2-ene;3-methylheptane
SMILESC/C=C\C.CCCCC(C)CC
InChIInChI=1S/C8H18.C4H8/c1-4-6-7-8(3)5-2;1-3-4-2/h8H,4-7H2,1-3H3;3-4H,1-2H3/b;4-3-
InChIKeyFDFVHOYUZXEKNZ-QGAMPUOQSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.81
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

3-methylheptane;nickel
CID 158967838
3-methylheptane;octane
CID 144782281
(3R,6S)-3,6-dimethyldecane
CID 170848353
calcium;hydride;3-methylheptane
CID 174879723
3,11-dimethylpentadecane
CID 58340720
N,N-dimethylmethanamine;3-methylheptane
CID 143169890
3-methylheptane;oxotitanium
CID 174602327
3-methylheptane;2-methylpentane
CID 165405793
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;3-methylheptane?
The IUPAC name of (Z)-but-2-ene;3-methylheptane (CID 155572467) is (Z)-but-2-ene;3-methylheptane.
What is the SMILES notation for (Z)-but-2-ene;3-methylheptane?
The canonical SMILES for (Z)-but-2-ene;3-methylheptane is C/C=C\C.CCCCC(C)CC.
What is the InChIKey of (Z)-but-2-ene;3-methylheptane?
The InChIKey is FDFVHOYUZXEKNZ-QGAMPUOQSA-N. The full InChI is InChI=1S/C8H18.C4H8/c1-4-6-7-8(3)5-2;1-3-4-2/h8H,4-7H2,1-3H3;3-4H,1-2H3/b;4-3-.
What are the key properties of (Z)-but-2-ene;3-methylheptane?
(Z)-but-2-ene;3-methylheptane has a molecular weight of 170.34 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;3-methylheptane is sourced from PubChem (CID 155572467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).