1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane

C10H18 — CID 20661398

IUPAC1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane
SMILESC/C=C/C1CC(C)CC1C
InChIInChI=1S/C10H18/c1-4-5-10-7-8(2)6-9(10)3/h4-5,8-10H,6-7H2,1-3H3/b5-4+
InChIKeyCHXSKQCWMMNMDS-SNAWJCMRSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds1

About 1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane

1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane (PubChem CID 20661398) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane.

Molecular Properties

Compound Name1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane
PubChem CID20661398
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane
SMILESC/C=C/C1CC(C)CC1C
InChIInChI=1S/C10H18/c1-4-5-10-7-8(2)6-9(10)3/h4-5,8-10H,6-7H2,1-3H3/b5-4+
InChIKeyCHXSKQCWMMNMDS-SNAWJCMRSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane?
The IUPAC name of 1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane (CID 20661398) is 1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane.
What is the SMILES notation for 1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane?
The canonical SMILES for 1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane is C/C=C/C1CC(C)CC1C.
What is the InChIKey of 1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane?
The InChIKey is CHXSKQCWMMNMDS-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18/c1-4-5-10-7-8(2)6-9(10)3/h4-5,8-10H,6-7H2,1-3H3/b5-4+.
What are the key properties of 1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane?
1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane has a molecular weight of 138.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane is sourced from PubChem (CID 20661398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).