2-propoxybutan-2-ylcyclopentane

C12H24O — CID 158420288

IUPAC2-propoxybutan-2-ylcyclopentane
SMILESCCCOC(C)(CC)C1CCCC1
InChIInChI=1S/C12H24O/c1-4-10-13-12(3,5-2)11-8-6-7-9-11/h11H,4-10H2,1-3H3
InChIKeyHAKFYNLBXXBBLS-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.77
Rot. Bonds5

About 2-propoxybutan-2-ylcyclopentane

2-propoxybutan-2-ylcyclopentane (PubChem CID 158420288) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-propoxybutan-2-ylcyclopentane.

Molecular Properties

Compound Name2-propoxybutan-2-ylcyclopentane
PubChem CID158420288
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-propoxybutan-2-ylcyclopentane
SMILESCCCOC(C)(CC)C1CCCC1
InChIInChI=1S/C12H24O/c1-4-10-13-12(3,5-2)11-8-6-7-9-11/h11H,4-10H2,1-3H3
InChIKeyHAKFYNLBXXBBLS-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-propoxybutan-2-ylcyclopentane 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

2-cyclooctylbutan-2-yl acetate
CID 177097469
2-cycloheptylbutan-2-yl prop-2-enoate
CID 170992142
2-cyclopentylbutan-2-yl 2-methylpropanoate
CID 59782925
(1-cyclohexyl-1-pentoxyethyl)cyclohexane
CID 154983829
2-cyclohexylbutan-2-yl methylsulfanylformate
CID 91161671
2-(2-cyclohexyloctan-2-yloxy)octan-2-ylcyclohexane
CID 139747776
3-methylpentan-3-ylcycloundecane
CID 123467319
2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane
CID 170050627
1,1-dipropoxyethylsilane
CID 173115072
2-cyclopentylbutan-2-amine
CID 43810238
2-cyclohexylbutan-2-yl 2-acetyloxyacetate
CID 123313705
2-cyclohexylbutan-2-yl 2-iodobutanoate
CID 134565455

Frequently Asked Questions

What is the IUPAC name of 2-propoxybutan-2-ylcyclopentane?
The IUPAC name of 2-propoxybutan-2-ylcyclopentane (CID 158420288) is 2-propoxybutan-2-ylcyclopentane.
What is the SMILES notation for 2-propoxybutan-2-ylcyclopentane?
The canonical SMILES for 2-propoxybutan-2-ylcyclopentane is CCCOC(C)(CC)C1CCCC1.
What is the InChIKey of 2-propoxybutan-2-ylcyclopentane?
The InChIKey is HAKFYNLBXXBBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-10-13-12(3,5-2)11-8-6-7-9-11/h11H,4-10H2,1-3H3.
What are the key properties of 2-propoxybutan-2-ylcyclopentane?
2-propoxybutan-2-ylcyclopentane has a molecular weight of 184.32 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxybutan-2-ylcyclopentane is sourced from PubChem (CID 158420288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).