1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane

C22H42 — CID 91135731

IUPAC1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane
SMILESCCCCC(C)C1(C)CC1C(CC)C1CCC(C(C)C)CC1
InChIInChI=1S/C22H42/c1-7-9-10-17(5)22(6)15-21(22)20(8-2)19-13-11-18(12-14-19)16(3)4/h16-21H,7-15H2,1-6H3
InChIKeyHGVHUHBOKOTOAE-UHFFFAOYSA-N
MW306.58 g/mol
LogP7.33
Rot. Bonds8

About 1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane

1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane (PubChem CID 91135731) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is 1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane
PubChem CID91135731
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane
SMILESCCCCC(C)C1(C)CC1C(CC)C1CCC(C(C)C)CC1
InChIInChI=1S/C22H42/c1-7-9-10-17(5)22(6)15-21(22)20(8-2)19-13-11-18(12-14-19)16(3)4/h16-21H,7-15H2,1-6H3
InChIKeyHGVHUHBOKOTOAE-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol
CID 65425475
1-cyclopropylpentylcycloheptane
CID 91177068
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
1-cyclopropyloctylcyclopropane
CID 141276542
1-butyl-1-methyl-3-propan-2-ylcyclobutane
CID 162724820
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
CID 142348869
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
CID 65425541
1-hexan-2-yl-4-propan-2-ylpiperidine
CID 67564256
2-(1-cyclopropylpentyl)oxetane
CID 174056372
1-(4-propan-2-ylpiperidin-1-yl)hexan-2-amine
CID 103497519

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane?
The IUPAC name of 1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane (CID 91135731) is 1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane is CCCCC(C)C1(C)CC1C(CC)C1CCC(C(C)C)CC1.
What is the InChIKey of 1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane?
The InChIKey is HGVHUHBOKOTOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42/c1-7-9-10-17(5)22(6)15-21(22)20(8-2)19-13-11-18(12-14-19)16(3)4/h16-21H,7-15H2,1-6H3.
What are the key properties of 1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane?
1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane has a molecular weight of 306.58 g/mol, XLogP of 7.33, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane is sourced from PubChem (CID 91135731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).