3-methylpentylcyclopropane

C9H18 — CID 56979389

IUPAC3-methylpentylcyclopropane
SMILESCCC(C)CCC1CC1
InChIInChI=1S/C9H18/c1-3-8(2)4-5-9-6-7-9/h8-9H,3-7H2,1-2H3
InChIKeyQWGHZLZCPOZXJO-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds4

About 3-methylpentylcyclopropane

3-methylpentylcyclopropane (PubChem CID 56979389) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 3-methylpentylcyclopropane.

Molecular Properties

Compound Name3-methylpentylcyclopropane
PubChem CID56979389
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name3-methylpentylcyclopropane
SMILESCCC(C)CCC1CC1
InChIInChI=1S/C9H18/c1-3-8(2)4-5-9-6-7-9/h8-9H,3-7H2,1-2H3
InChIKeyQWGHZLZCPOZXJO-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylpentylcyclopropane?
The IUPAC name of 3-methylpentylcyclopropane (CID 56979389) is 3-methylpentylcyclopropane.
What is the SMILES notation for 3-methylpentylcyclopropane?
The canonical SMILES for 3-methylpentylcyclopropane is CCC(C)CCC1CC1.
What is the InChIKey of 3-methylpentylcyclopropane?
The InChIKey is QWGHZLZCPOZXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-3-8(2)4-5-9-6-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-methylpentylcyclopropane?
3-methylpentylcyclopropane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentylcyclopropane is sourced from PubChem (CID 56979389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).