1-[(E)-but-2-en-2-yl]-1-methylcyclopentane

C10H18 — CID 56936210

IUPAC1-[(E)-but-2-en-2-yl]-1-methylcyclopentane
SMILESC/C=C(\C)C1(C)CCCC1
InChIInChI=1S/C10H18/c1-4-9(2)10(3)7-5-6-8-10/h4H,5-8H2,1-3H3/b9-4+
InChIKeyAGIVRYRAKLJNMU-RUDMXATFSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]-1-methylcyclopentane

1-[(E)-but-2-en-2-yl]-1-methylcyclopentane (PubChem CID 56936210) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-1-methylcyclopentane.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-1-methylcyclopentane
PubChem CID56936210
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-[(E)-but-2-en-2-yl]-1-methylcyclopentane
SMILESC/C=C(\C)C1(C)CCCC1
InChIInChI=1S/C10H18/c1-4-9(2)10(3)7-5-6-8-10/h4H,5-8H2,1-3H3/b9-4+
InChIKeyAGIVRYRAKLJNMU-RUDMXATFSA-N
XLogP3.53
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 ≤ 53.53
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

Trichodiene
CID 114857
Cyclohexene, trimethyl-
CID 79032
2,4,4,6,6-Pentamethyl-2-heptene
CID 170244
Cyclohexene, 1,5,5-trimethyl-6-methylene-
CID 578237
Premnaspirodiene
CID 14355861
Bazzanene
CID 179421
3,5,5-Trimethyl-2-hexene
CID 5365055
1,3,3-Trimethylcyclohexene
CID 3013896
2,2,4,6,6-Pentamethyl-3-heptene
CID 31259
(3S,5R,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-ene
CID 90658578
alpha-Alaskene
CID 6428487
(2S,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene
CID 443656

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-1-methylcyclopentane?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-1-methylcyclopentane (CID 56936210) is 1-[(E)-but-2-en-2-yl]-1-methylcyclopentane.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-1-methylcyclopentane?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-1-methylcyclopentane is C/C=C(\C)C1(C)CCCC1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-1-methylcyclopentane?
The InChIKey is AGIVRYRAKLJNMU-RUDMXATFSA-N. The full InChI is InChI=1S/C10H18/c1-4-9(2)10(3)7-5-6-8-10/h4H,5-8H2,1-3H3/b9-4+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-1-methylcyclopentane?
1-[(E)-but-2-en-2-yl]-1-methylcyclopentane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-1-methylcyclopentane is sourced from PubChem (CID 56936210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).