[(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen

C12H18 — CID 142935143

IUPAC[(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen
SMILESC/C=C(/C)C(C)c1ccccc1.[H][H]
InChIInChI=1S/C12H16.H2/c1-4-10(2)11(3)12-8-6-5-7-9-12;/h4-9,11H,1-3H3;1H/b10-4-;
InChIKeyVGLGTGTYMATNMM-MDZFRNKHSA-N
MW162.28 g/mol
LogP4.00
Rot. Bonds2

About [(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen

[(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen (PubChem CID 142935143) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is [(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen.

Molecular Properties

Compound Name[(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen
PubChem CID142935143
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name[(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen
SMILESC/C=C(/C)C(C)c1ccccc1.[H][H]
InChIInChI=1S/C12H16.H2/c1-4-10(2)11(3)12-8-6-5-7-9-12;/h4-9,11H,1-3H3;1H/b10-4-;
InChIKeyVGLGTGTYMATNMM-MDZFRNKHSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.00
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

1-methyl-4-[(E)-3-methylpent-3-en-2-yl]benzene
CID 166116462
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
3-methyl-2-phenylpent-3-enoic acid
CID 173232429
(3R)-3-phenylbut-1-en-2-ol
CID 89028601
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
(3-benzylidene-4-phenylpentan-2-yl)benzene
CID 10781434
cumene;hydrogen peroxide
CID 21225480
2,3-dimethyl-4-phenylpent-2-en-1-ol
CID 123406517
(NZ)-N-[(2S)-1,2-diphenylpropylidene]hydroxylamine
CID 98569832

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen?
The IUPAC name of [(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen (CID 142935143) is [(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen.
What is the SMILES notation for [(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen?
The canonical SMILES for [(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen is C/C=C(/C)C(C)c1ccccc1.[H][H].
What is the InChIKey of [(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen?
The InChIKey is VGLGTGTYMATNMM-MDZFRNKHSA-N. The full InChI is InChI=1S/C12H16.H2/c1-4-10(2)11(3)12-8-6-5-7-9-12;/h4-9,11H,1-3H3;1H/b10-4-;.
What are the key properties of [(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen?
[(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen has a molecular weight of 162.28 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen is sourced from PubChem (CID 142935143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).