1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane

C15H26 — CID 91352436

IUPAC1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane
SMILESCCC(C)C1CCCC1CC=C1CC1C
InChIInChI=1S/C15H26/c1-4-11(2)15-7-5-6-13(15)8-9-14-10-12(14)3/h9,11-13,15H,4-8,10H2,1-3H3
InChIKeyVKBDTGXSHOVUMW-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.81
Rot. Bonds4

About 1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane

1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane (PubChem CID 91352436) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane.

Molecular Properties

Compound Name1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane
PubChem CID91352436
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane
SMILESCCC(C)C1CCCC1CC=C1CC1C
InChIInChI=1S/C15H26/c1-4-11(2)15-7-5-6-13(15)8-9-14-10-12(14)3/h9,11-13,15H,4-8,10H2,1-3H3
InChIKeyVKBDTGXSHOVUMW-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.81
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

alpha-Thujene
CID 17868
alpha-Bulnesene
CID 94275
gamma-Gurjunene
CID 15560285
Bicyclogermacrene
CID 13894537
Sesquisabinene
CID 25202482
(-)-alpha-Thujene
CID 637518
3,8-Dimethyl-5-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene
CID 520826
Sesquithujene
CID 25147318
I2-Araneosene
CID 11701776
alpha-Acoradiene
CID 90351
(1beta,4alpha,5beta,6alpha,7alpha)-9-Aromadendrene
CID 13892025
(+)-Guaia-6,9-diene
CID 14190790

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane?
The IUPAC name of 1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane (CID 91352436) is 1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane.
What is the SMILES notation for 1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane?
The canonical SMILES for 1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane is CCC(C)C1CCCC1CC=C1CC1C.
What is the InChIKey of 1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane?
The InChIKey is VKBDTGXSHOVUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-4-11(2)15-7-5-6-13(15)8-9-14-10-12(14)3/h9,11-13,15H,4-8,10H2,1-3H3.
What are the key properties of 1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane?
1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane has a molecular weight of 206.37 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane is sourced from PubChem (CID 91352436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).