1-methoxy-1-(4-methylpentyl)cyclopentane

C12H24O — CID 21337503

IUPAC1-methoxy-1-(4-methylpentyl)cyclopentane
SMILESCOC1(CCCC(C)C)CCCC1
InChIInChI=1S/C12H24O/c1-11(2)7-6-10-12(13-3)8-4-5-9-12/h11H,4-10H2,1-3H3
InChIKeyPWQISOBRWSNZCH-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.77
Rot. Bonds5

About 1-methoxy-1-(4-methylpentyl)cyclopentane

1-methoxy-1-(4-methylpentyl)cyclopentane (PubChem CID 21337503) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-methoxy-1-(4-methylpentyl)cyclopentane.

Molecular Properties

Compound Name1-methoxy-1-(4-methylpentyl)cyclopentane
PubChem CID21337503
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-methoxy-1-(4-methylpentyl)cyclopentane
SMILESCOC1(CCCC(C)C)CCCC1
InChIInChI=1S/C12H24O/c1-11(2)7-6-10-12(13-3)8-4-5-9-12/h11H,4-10H2,1-3H3
InChIKeyPWQISOBRWSNZCH-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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(4-methylpentyl)cyclopentane?
The IUPAC name of 1-methoxy-1-(4-methylpentyl)cyclopentane (CID 21337503) is 1-methoxy-1-(4-methylpentyl)cyclopentane.
What is the SMILES notation for 1-methoxy-1-(4-methylpentyl)cyclopentane?
The canonical SMILES for 1-methoxy-1-(4-methylpentyl)cyclopentane is COC1(CCCC(C)C)CCCC1.
What is the InChIKey of 1-methoxy-1-(4-methylpentyl)cyclopentane?
The InChIKey is PWQISOBRWSNZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-11(2)7-6-10-12(13-3)8-4-5-9-12/h11H,4-10H2,1-3H3.
What are the key properties of 1-methoxy-1-(4-methylpentyl)cyclopentane?
1-methoxy-1-(4-methylpentyl)cyclopentane 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 1-methoxy-1-(4-methylpentyl)cyclopentane is sourced from PubChem (CID 21337503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).