1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane

C14H28 — CID 59279852

IUPAC1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane
SMILESCC(C)CC(C)(C)CC1CC1C(C)C
InChIInChI=1S/C14H28/c1-10(2)8-14(5,6)9-12-7-13(12)11(3)4/h10-13H,7-9H2,1-6H3
InChIKeySBQSKVOVVJXZEZ-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds5

About 1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane

1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane (PubChem CID 59279852) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane.

Molecular Properties

Compound Name1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane
PubChem CID59279852
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane
SMILESCC(C)CC(C)(C)CC1CC1C(C)C
InChIInChI=1S/C14H28/c1-10(2)8-14(5,6)9-12-7-13(12)11(3)4/h10-13H,7-9H2,1-6H3
InChIKeySBQSKVOVVJXZEZ-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2,4-trimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 57108870
1-(4-methylpentyl)-2-propan-2-ylcyclopropane
CID 90741297
ethane;1-methyl-4-(2,2,4-trimethylpentyl)piperidine
CID 142409504
1-(2,2-dimethylpropyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273938
carbon dioxide;1-ethyl-2-propan-2-ylcyclopropane
CID 158990668
1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane
CID 22142089
3,3,5-trimethylhexylindigane
CID 174462219
1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane
CID 122414284
3-tert-butyl-3-(2,2,4-trimethylpentyl)dioxirane
CID 18704343
ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol
CID 177330552
1-propan-2-yl-2-(2-propan-2-yloxyethyl)cyclopropane
CID 155609255
trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 167553604

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane?
The IUPAC name of 1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane (CID 59279852) is 1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane.
What is the SMILES notation for 1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane?
The canonical SMILES for 1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane is CC(C)CC(C)(C)CC1CC1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane?
The InChIKey is SBQSKVOVVJXZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-10(2)8-14(5,6)9-12-7-13(12)11(3)4/h10-13H,7-9H2,1-6H3.
What are the key properties of 1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane?
1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane is sourced from PubChem (CID 59279852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).