[(2S)-2-methyl-3-methylidenepentyl]benzene

C13H18 — CID 173484600

IUPAC[(2S)-2-methyl-3-methylidenepentyl]benzene
SMILESC=C(CC)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C13H18/c1-4-11(2)12(3)10-13-8-6-5-7-9-13/h5-9,12H,2,4,10H2,1,3H3/t12-/m0/s1
InChIKeyNMFCQLWDQJRALZ-LBPRGKRZSA-N
MW174.29 g/mol
LogP3.83
Rot. Bonds4

About [(2S)-2-methyl-3-methylidenepentyl]benzene

[(2S)-2-methyl-3-methylidenepentyl]benzene (PubChem CID 173484600) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is [(2S)-2-methyl-3-methylidenepentyl]benzene.

Molecular Properties

Compound Name[(2S)-2-methyl-3-methylidenepentyl]benzene
PubChem CID173484600
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name[(2S)-2-methyl-3-methylidenepentyl]benzene
SMILESC=C(CC)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C13H18/c1-4-11(2)12(3)10-13-8-6-5-7-9-13/h5-9,12H,2,4,10H2,1,3H3/t12-/m0/s1
InChIKeyNMFCQLWDQJRALZ-LBPRGKRZSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.83
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

(3R)-N,3-dimethyl-4-phenylbut-1-en-2-amine
CID 142994243
azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene
CID 170745026
(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
CID 20537348
CID 20537348
4-methyl-5-phenylpent-1-en-3-one
CID 21353103
[(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene
CID 143472728
2-benzylprop-2-enoic acid;(2R)-2-methyl-3-phenylpropanoic acid
CID 157160595
1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene
CID 123950810
(3S)-3-(3-hydroxybut-3-en-2-ylamino)-4-phenylbut-1-en-2-ol
CID 142025846

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-3-methylidenepentyl]benzene?
The IUPAC name of [(2S)-2-methyl-3-methylidenepentyl]benzene (CID 173484600) is [(2S)-2-methyl-3-methylidenepentyl]benzene.
What is the SMILES notation for [(2S)-2-methyl-3-methylidenepentyl]benzene?
The canonical SMILES for [(2S)-2-methyl-3-methylidenepentyl]benzene is C=C(CC)[C@@H](C)Cc1ccccc1.
What is the InChIKey of [(2S)-2-methyl-3-methylidenepentyl]benzene?
The InChIKey is NMFCQLWDQJRALZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18/c1-4-11(2)12(3)10-13-8-6-5-7-9-13/h5-9,12H,2,4,10H2,1,3H3/t12-/m0/s1.
What are the key properties of [(2S)-2-methyl-3-methylidenepentyl]benzene?
[(2S)-2-methyl-3-methylidenepentyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-3-methylidenepentyl]benzene is sourced from PubChem (CID 173484600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).