1,1-dimethyl-2-octylcyclopropane

C13H26 — CID 15329257

IUPAC1,1-dimethyl-2-octylcyclopropane
SMILESCCCCCCCCC1CC1(C)C
InChIInChI=1S/C13H26/c1-4-5-6-7-8-9-10-12-11-13(12,2)3/h12H,4-11H2,1-3H3
InChIKeyVQZZFHDVERYNPT-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.78
Rot. Bonds7

About 1,1-dimethyl-2-octylcyclopropane

1,1-dimethyl-2-octylcyclopropane (PubChem CID 15329257) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,1-dimethyl-2-octylcyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-octylcyclopropane
PubChem CID15329257
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,1-dimethyl-2-octylcyclopropane
SMILESCCCCCCCCC1CC1(C)C
InChIInChI=1S/C13H26/c1-4-5-6-7-8-9-10-12-11-13(12,2)3/h12H,4-11H2,1-3H3
InChIKeyVQZZFHDVERYNPT-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
1,1-dibromo-2-octylcyclopropane
CID 2780238
1,1-dichloro-2-octylcyclopropane
CID 10799099
8-(2,2-dimethylcyclopropyl)octan-1-ol
CID 156501168
(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717
(Z)-N,N-dimethyloctadec-9-enamide;1,1-dimethyl-2-tridecylcyclopropane
CID 174851085
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
N-ethyl-1-methyl-2-pentylcyclopropan-1-amine
CID 123705841
cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
CID 14921306
3-ethyl-1,1-dimethyl-2-nonylcyclobutane
CID 174441233
5-decyl-1-methylidene-1-silaspiro[2.2]pentane
CID 169011665

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-octylcyclopropane?
The IUPAC name of 1,1-dimethyl-2-octylcyclopropane (CID 15329257) is 1,1-dimethyl-2-octylcyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-octylcyclopropane?
The canonical SMILES for 1,1-dimethyl-2-octylcyclopropane is CCCCCCCCC1CC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-octylcyclopropane?
The InChIKey is VQZZFHDVERYNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-4-5-6-7-8-9-10-12-11-13(12,2)3/h12H,4-11H2,1-3H3.
What are the key properties of 1,1-dimethyl-2-octylcyclopropane?
1,1-dimethyl-2-octylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-octylcyclopropane is sourced from PubChem (CID 15329257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).