1,4-dimethyl-2-pent-1-enylcyclopentane

C12H22 — CID 123748018

IUPAC1,4-dimethyl-2-pent-1-enylcyclopentane
SMILESCCCC=CC1CC(C)CC1C
InChIInChI=1S/C12H22/c1-4-5-6-7-12-9-10(2)8-11(12)3/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyYQGNXFYSLBLJLL-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds3

About 1,4-dimethyl-2-pent-1-enylcyclopentane

1,4-dimethyl-2-pent-1-enylcyclopentane (PubChem CID 123748018) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,4-dimethyl-2-pent-1-enylcyclopentane.

Molecular Properties

Compound Name1,4-dimethyl-2-pent-1-enylcyclopentane
PubChem CID123748018
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,4-dimethyl-2-pent-1-enylcyclopentane
SMILESCCCC=CC1CC(C)CC1C
InChIInChI=1S/C12H22/c1-4-5-6-7-12-9-10(2)8-11(12)3/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyYQGNXFYSLBLJLL-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-2-[(E)-prop-1-enyl]cyclopentane
CID 20661398
1-ethyl-2-pent-1-enylcyclopropane
CID 123376012
1-ethenyl-2-pent-1-enylcyclopropane
CID 123214282
1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone
CID 130036272
5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene
CID 18522509
4-methyl-5-pent-1-enyloxolan-2-one
CID 151605681
(2R,3R)-2,3-bis[(E)-pent-1-enyl]piperazine
CID 134994082
1-ethenyl-2-[(Z)-hex-1-enyl]cyclopropane
CID 5367331
(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 143897565
3-pent-1-enylcyclobutene
CID 174814530
cis-(2S,3R)-2-iodo-1-methyl-3-[(E)-oct-1-enyl]cyclopentane
CID 163432728
2-non-1-enylcyclopropane-1-carboxylic acid
CID 57032997

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-pent-1-enylcyclopentane?
The IUPAC name of 1,4-dimethyl-2-pent-1-enylcyclopentane (CID 123748018) is 1,4-dimethyl-2-pent-1-enylcyclopentane.
What is the SMILES notation for 1,4-dimethyl-2-pent-1-enylcyclopentane?
The canonical SMILES for 1,4-dimethyl-2-pent-1-enylcyclopentane is CCCC=CC1CC(C)CC1C.
What is the InChIKey of 1,4-dimethyl-2-pent-1-enylcyclopentane?
The InChIKey is YQGNXFYSLBLJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-5-6-7-12-9-10(2)8-11(12)3/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-pent-1-enylcyclopentane?
1,4-dimethyl-2-pent-1-enylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-pent-1-enylcyclopentane is sourced from PubChem (CID 123748018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).