1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene

C17H24 — CID 142803791

IUPAC1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene
SMILESC=CCCCc1cc(CC(=C)CC)ccc1C
InChIInChI=1S/C17H24/c1-5-7-8-9-17-13-16(11-10-15(17)4)12-14(3)6-2/h5,10-11,13H,1,3,6-9,12H2,2,4H3
InChIKeyKCHNBIIPHUYZQZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.01
Rot. Bonds7

About 1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene

1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene (PubChem CID 142803791) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene.

Molecular Properties

Compound Name1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene
PubChem CID142803791
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene
SMILESC=CCCCc1cc(CC(=C)CC)ccc1C
InChIInChI=1S/C17H24/c1-5-7-8-9-17-13-16(11-10-15(17)4)12-14(3)6-2/h5,10-11,13H,1,3,6-9,12H2,2,4H3
InChIKeyKCHNBIIPHUYZQZ-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene
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[3-methyl-4-(2-methylidenebutyl)phenyl]methanamine
CID 143341982
1-methyl-2-(2-methylidenebutyl)benzene
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CID 91583906
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1-methyl-2-oct-7-enylbenzene
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4-ethyl-2-hexyl-1-methylbenzene
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2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene?
The IUPAC name of 1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene (CID 142803791) is 1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene.
What is the SMILES notation for 1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene?
The canonical SMILES for 1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene is C=CCCCc1cc(CC(=C)CC)ccc1C.
What is the InChIKey of 1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene?
The InChIKey is KCHNBIIPHUYZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-5-7-8-9-17-13-16(11-10-15(17)4)12-14(3)6-2/h5,10-11,13H,1,3,6-9,12H2,2,4H3.
What are the key properties of 1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene?
1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene has a molecular weight of 228.38 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene is sourced from PubChem (CID 142803791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).