1-(4-methylpentyl)-2-propan-2-ylcyclopropane

C12H24 — CID 90741297

IUPAC1-(4-methylpentyl)-2-propan-2-ylcyclopropane
SMILESCC(C)CCCC1CC1C(C)C
InChIInChI=1S/C12H24/c1-9(2)6-5-7-11-8-12(11)10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyBAPDPTDPOKSTHC-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds5

About 1-(4-methylpentyl)-2-propan-2-ylcyclopropane

1-(4-methylpentyl)-2-propan-2-ylcyclopropane (PubChem CID 90741297) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-(4-methylpentyl)-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-(4-methylpentyl)-2-propan-2-ylcyclopropane
PubChem CID90741297
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-(4-methylpentyl)-2-propan-2-ylcyclopropane
SMILESCC(C)CCCC1CC1C(C)C
InChIInChI=1S/C12H24/c1-9(2)6-5-7-11-8-12(11)10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyBAPDPTDPOKSTHC-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-(3-methylpentyl)-2-(4-methylpentyl)cyclopropane
CID 91283171
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol
CID 83161089
3,3-difluoro-2,8-dimethylnonane;2,8-dimethylnonane;1-(5-methylhexyl)-1-propan-2-ylcyclopropane;1-(4-methylpentyl)-2-propan-2-ylcyclopropane;2,3,3,8-tetramethylnonane
CID 157124298
N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine
CID 118618598
1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane
CID 123616898
1-propan-2-yl-2-(2-propan-2-yloxyethyl)cyclopropane
CID 155609255
1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
N-methyl-2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 83158361
2-(4-methylpentyl)cyclopentan-1-amine
CID 83158809
1,3-dimethyl-2-(4-methylpentyl)cyclobutane
CID 123570825

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-2-propan-2-ylcyclopropane?
The IUPAC name of 1-(4-methylpentyl)-2-propan-2-ylcyclopropane (CID 90741297) is 1-(4-methylpentyl)-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-(4-methylpentyl)-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-(4-methylpentyl)-2-propan-2-ylcyclopropane is CC(C)CCCC1CC1C(C)C.
What is the InChIKey of 1-(4-methylpentyl)-2-propan-2-ylcyclopropane?
The InChIKey is BAPDPTDPOKSTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-9(2)6-5-7-11-8-12(11)10(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-(4-methylpentyl)-2-propan-2-ylcyclopropane?
1-(4-methylpentyl)-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-(4-methylpentyl)-2-propan-2-ylcyclopropane is sourced from PubChem (CID 90741297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).