1-(3-methylbutyl)-1-propan-2-ylcyclopentane

C13H26 — CID 140662970

IUPAC1-(3-methylbutyl)-1-propan-2-ylcyclopentane
SMILESCC(C)CCC1(C(C)C)CCCC1
InChIInChI=1S/C13H26/c1-11(2)7-10-13(12(3)4)8-5-6-9-13/h11-12H,5-10H2,1-4H3
InChIKeyHCTIYFBVXGZOOJ-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds4

About 1-(3-methylbutyl)-1-propan-2-ylcyclopentane

1-(3-methylbutyl)-1-propan-2-ylcyclopentane (PubChem CID 140662970) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-(3-methylbutyl)-1-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-(3-methylbutyl)-1-propan-2-ylcyclopentane
PubChem CID140662970
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-(3-methylbutyl)-1-propan-2-ylcyclopentane
SMILESCC(C)CCC1(C(C)C)CCCC1
InChIInChI=1S/C13H26/c1-11(2)7-10-13(12(3)4)8-5-6-9-13/h11-12H,5-10H2,1-4H3
InChIKeyHCTIYFBVXGZOOJ-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-1-propan-2-ylcyclopentane?
The IUPAC name of 1-(3-methylbutyl)-1-propan-2-ylcyclopentane (CID 140662970) is 1-(3-methylbutyl)-1-propan-2-ylcyclopentane.
What is the SMILES notation for 1-(3-methylbutyl)-1-propan-2-ylcyclopentane?
The canonical SMILES for 1-(3-methylbutyl)-1-propan-2-ylcyclopentane is CC(C)CCC1(C(C)C)CCCC1.
What is the InChIKey of 1-(3-methylbutyl)-1-propan-2-ylcyclopentane?
The InChIKey is HCTIYFBVXGZOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-11(2)7-10-13(12(3)4)8-5-6-9-13/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-1-propan-2-ylcyclopentane?
1-(3-methylbutyl)-1-propan-2-ylcyclopentane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-1-propan-2-ylcyclopentane is sourced from PubChem (CID 140662970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).