1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane

C19H36 — CID 91342596

IUPAC1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane
SMILESCC(C)C1CC1C(C)CC(C)C(C)C1CC1C(C)C
InChIInChI=1S/C19H36/c1-11(2)16-9-18(16)14(6)8-13(5)15(7)19-10-17(19)12(3)4/h11-19H,8-10H2,1-7H3
InChIKeyLSRJEZMJCHTYOB-UHFFFAOYSA-N
MW264.50 g/mol
LogP5.87
Rot. Bonds7

About 1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane

1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane (PubChem CID 91342596) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane
PubChem CID91342596
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane
SMILESCC(C)C1CC1C(C)CC(C)C(C)C1CC1C(C)C
InChIInChI=1S/C19H36/c1-11(2)16-9-18(16)14(6)8-13(5)15(7)19-10-17(19)12(3)4/h11-19H,8-10H2,1-7H3
InChIKeyLSRJEZMJCHTYOB-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane
CID 123819906
1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123798468
1-ethyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123962294
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
3-(2-propan-2-ylcyclopropyl)butanoic acid
CID 84653840
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
(E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane
CID 164960438
(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane
CID 123949424
1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane
CID 90869417
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane
CID 160557443
1-(3-methylidenepentan-2-yl)-2-propan-2-ylcyclopropane
CID 123456520

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane?
The IUPAC name of 1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane (CID 91342596) is 1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane is CC(C)C1CC1C(C)CC(C)C(C)C1CC1C(C)C.
What is the InChIKey of 1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane?
The InChIKey is LSRJEZMJCHTYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-11(2)16-9-18(16)14(6)8-13(5)15(7)19-10-17(19)12(3)4/h11-19H,8-10H2,1-7H3.
What are the key properties of 1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane?
1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane has a molecular weight of 264.50 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(2-propan-2-ylcyclopropyl)hexan-2-yl]-2-propan-2-ylcyclopropane is sourced from PubChem (CID 91342596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).