1-methyl-4-(3-methylidenepentyl)benzene

C13H18 — CID 18956749

IUPAC1-methyl-4-(3-methylidenepentyl)benzene
SMILESC=C(CC)CCc1ccc(C)cc1
InChIInChI=1S/C13H18/c1-4-11(2)5-8-13-9-6-12(3)7-10-13/h6-7,9-10H,2,4-5,8H2,1,3H3
InChIKeyNJFRKEOZMIVEAR-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.89
Rot. Bonds4

About 1-methyl-4-(3-methylidenepentyl)benzene

1-methyl-4-(3-methylidenepentyl)benzene (PubChem CID 18956749) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-methyl-4-(3-methylidenepentyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(3-methylidenepentyl)benzene
PubChem CID18956749
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-methyl-4-(3-methylidenepentyl)benzene
SMILESC=C(CC)CCc1ccc(C)cc1
InChIInChI=1S/C13H18/c1-4-11(2)5-8-13-9-6-12(3)7-10-13/h6-7,9-10H,2,4-5,8H2,1,3H3
InChIKeyNJFRKEOZMIVEAR-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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

5-methylidene-1-(4-methylphenyl)heptan-3-one
CID 105113317
5-methylidene-1-(4-methylphenyl)heptan-3-amine
CID 105164109
2-methyl-5-(4-methylphenyl)pent-1-en-3-one
CID 105113096
3-(3-methylidenepentyl)thiophene
CID 143047550
2-[4-(3-methylidenepentyl)phenyl]-5-pentylpyrimidine
CID 22131730
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
1-chloro-4-(3-methylidenehexyl)benzene
CID 166967432
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
ethane;1-(4-methylphenyl)hexan-3-one
CID 143103433
1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene
CID 145203948
S-ethyl 3-(4-methylphenyl)propanethioate
CID 161024746
1-(4-methoxypent-4-enyl)-4-methylbenzene
CID 159520064

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylidenepentyl)benzene?
The IUPAC name of 1-methyl-4-(3-methylidenepentyl)benzene (CID 18956749) is 1-methyl-4-(3-methylidenepentyl)benzene.
What is the SMILES notation for 1-methyl-4-(3-methylidenepentyl)benzene?
The canonical SMILES for 1-methyl-4-(3-methylidenepentyl)benzene is C=C(CC)CCc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(3-methylidenepentyl)benzene?
The InChIKey is NJFRKEOZMIVEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-4-11(2)5-8-13-9-6-12(3)7-10-13/h6-7,9-10H,2,4-5,8H2,1,3H3.
What are the key properties of 1-methyl-4-(3-methylidenepentyl)benzene?
1-methyl-4-(3-methylidenepentyl)benzene has a molecular weight of 174.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylidenepentyl)benzene is sourced from PubChem (CID 18956749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).