1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane

C12H24 — CID 123819906

IUPAC1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane
SMILESCC(C)CC(C)C1CC1C(C)C
InChIInChI=1S/C12H24/c1-8(2)6-10(5)12-7-11(12)9(3)4/h8-12H,6-7H2,1-5H3
InChIKeyXRRPGZRUMUPBCJ-UHFFFAOYSA-N
MW168.32 g/mol
LogP3.96
Rot. Bonds4

About 1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane

1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane (PubChem CID 123819906) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane
PubChem CID123819906
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane
SMILESCC(C)CC(C)C1CC1C(C)C
InChIInChI=1S/C12H24/c1-8(2)6-10(5)12-7-11(12)9(3)4/h8-12H,6-7H2,1-5H3
InChIKeyXRRPGZRUMUPBCJ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane
CID 91342596
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
3-(2-propan-2-ylcyclopropyl)butanoic acid
CID 84653840
1-butan-2-yl-2-(4-methylpentan-2-yl)cyclopentane
CID 123699585
(E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane
CID 164960438
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
2-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 16727057
1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123798468
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
1-ethyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123962294
1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane
CID 160557443
ethane;4-methylpentan-2-ylcyclobutane
CID 158871771

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane?
The IUPAC name of 1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane (CID 123819906) is 1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane is CC(C)CC(C)C1CC1C(C)C.
What is the InChIKey of 1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane?
The InChIKey is XRRPGZRUMUPBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-8(2)6-10(5)12-7-11(12)9(3)4/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane?
1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane is sourced from PubChem (CID 123819906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).