1-hexan-2-yl-2-propan-2-ylcyclopropane

C12H24 — CID 123497501

IUPAC1-hexan-2-yl-2-propan-2-ylcyclopropane
SMILESCCCCC(C)C1CC1C(C)C
InChIInChI=1S/C12H24/c1-5-6-7-10(4)12-8-11(12)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyNSSZIMSABOWXJH-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds5

About 1-hexan-2-yl-2-propan-2-ylcyclopropane

1-hexan-2-yl-2-propan-2-ylcyclopropane (PubChem CID 123497501) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-hexan-2-yl-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-hexan-2-yl-2-propan-2-ylcyclopropane
PubChem CID123497501
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-hexan-2-yl-2-propan-2-ylcyclopropane
SMILESCCCCC(C)C1CC1C(C)C
InChIInChI=1S/C12H24/c1-5-6-7-10(4)12-8-11(12)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyNSSZIMSABOWXJH-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane
CID 90869417
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane
CID 123819906
1-hexan-2-yl-2,4,5-trimethylcycloheptane
CID 143344432
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane
CID 123285956
3-(2-propan-2-ylcyclopropyl)butanoic acid
CID 84653840
1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane
CID 91342596
2-ethyl-1-hexan-2-yl-3-methylcyclohexane
CID 123270961
2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane
CID 174606217
2-hexan-2-yl-3-nonan-5-yloxirane
CID 123413596

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-2-propan-2-ylcyclopropane?
The IUPAC name of 1-hexan-2-yl-2-propan-2-ylcyclopropane (CID 123497501) is 1-hexan-2-yl-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-hexan-2-yl-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-hexan-2-yl-2-propan-2-ylcyclopropane is CCCCC(C)C1CC1C(C)C.
What is the InChIKey of 1-hexan-2-yl-2-propan-2-ylcyclopropane?
The InChIKey is NSSZIMSABOWXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-6-7-10(4)12-8-11(12)9(2)3/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-hexan-2-yl-2-propan-2-ylcyclopropane?
1-hexan-2-yl-2-propan-2-ylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-2-propan-2-ylcyclopropane is sourced from PubChem (CID 123497501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).