1-(2-methylheptyl)cyclopropene

C11H20 — CID 22621699

IUPAC1-(2-methylheptyl)cyclopropene
SMILESCCCCCC(C)CC1=CC1
InChIInChI=1S/C11H20/c1-3-4-5-6-10(2)9-11-7-8-11/h7,10H,3-6,8-9H2,1-2H3
InChIKeyFISNJDNGTYXEAC-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds6

About 1-(2-methylheptyl)cyclopropene

1-(2-methylheptyl)cyclopropene (PubChem CID 22621699) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-(2-methylheptyl)cyclopropene.

Molecular Properties

Compound Name1-(2-methylheptyl)cyclopropene
PubChem CID22621699
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-(2-methylheptyl)cyclopropene
SMILESCCCCCC(C)CC1=CC1
InChIInChI=1S/C11H20/c1-3-4-5-6-10(2)9-11-7-8-11/h7,10H,3-6,8-9H2,1-2H3
InChIKeyFISNJDNGTYXEAC-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.92
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

2-(2-methylheptyl)cyclopenta-1,3-diene
CID 175053083
(7R)-7-methyltricosane
CID 162971691
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylheptyl)cyclopropene?
The IUPAC name of 1-(2-methylheptyl)cyclopropene (CID 22621699) is 1-(2-methylheptyl)cyclopropene.
What is the SMILES notation for 1-(2-methylheptyl)cyclopropene?
The canonical SMILES for 1-(2-methylheptyl)cyclopropene is CCCCCC(C)CC1=CC1.
What is the InChIKey of 1-(2-methylheptyl)cyclopropene?
The InChIKey is FISNJDNGTYXEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-4-5-6-10(2)9-11-7-8-11/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(2-methylheptyl)cyclopropene?
1-(2-methylheptyl)cyclopropene has a molecular weight of 152.28 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylheptyl)cyclopropene is sourced from PubChem (CID 22621699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).