bis(but-2-ene);1-methyl-3-propylidenecyclopentane

C17H32 — CID 173439667

IUPACbis(but-2-ene);1-methyl-3-propylidenecyclopentane
SMILESCC=CC.CC=CC.CCC=C1CCC(C)C1
InChIInChI=1S/C9H16.2C4H8/c1-3-4-9-6-5-8(2)7-9;2*1-3-4-2/h4,8H,3,5-7H2,1-2H3;2*3-4H,1-2H3
InChIKeySHPFAZKLURNRLT-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.31
Rot. Bonds1

About bis(but-2-ene);1-methyl-3-propylidenecyclopentane

bis(but-2-ene);1-methyl-3-propylidenecyclopentane (PubChem CID 173439667) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is bis(but-2-ene);1-methyl-3-propylidenecyclopentane.

Molecular Properties

Compound Namebis(but-2-ene);1-methyl-3-propylidenecyclopentane
PubChem CID173439667
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Namebis(but-2-ene);1-methyl-3-propylidenecyclopentane
SMILESCC=CC.CC=CC.CCC=C1CCC(C)C1
InChIInChI=1S/C9H16.2C4H8/c1-3-4-9-6-5-8(2)7-9;2*1-3-4-2/h4,8H,3,5-7H2,1-2H3;2*3-4H,1-2H3
InChIKeySHPFAZKLURNRLT-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.31
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

(3Z)-1-methyl-3-propylidenecyclopentane
CID 144536317
3-propylidenecyclopentan-1-amine
CID 79876230
(4E)-4-propylidenecyclohexane-1,2-diol
CID 68778200
1-hept-6-enylidene-3-methylcyclopentane
CID 173177618
(1E)-1-butylidene-3-methylcyclohexane
CID 10606948
(3E)-1-methyl-3-pentylidenecyclohexane
CID 6377600
(1S,3E)-3-propylidenecyclohexan-1-ol
CID 88974984
1-(2-bromoethyl)-4-propylidenecyclohexane
CID 18787862
1,3-di(propylidene)cyclobutane
CID 123878518
4-methylcyclohexene-1,2-dicarbaldehyde
CID 147376792
2-(4-propylidenecyclohexyl)acetate
CID 18787857
but-1-ene;propylidenecyclopropane
CID 23054525

Frequently Asked Questions

What is the IUPAC name of bis(but-2-ene);1-methyl-3-propylidenecyclopentane?
The IUPAC name of bis(but-2-ene);1-methyl-3-propylidenecyclopentane (CID 173439667) is bis(but-2-ene);1-methyl-3-propylidenecyclopentane.
What is the SMILES notation for bis(but-2-ene);1-methyl-3-propylidenecyclopentane?
The canonical SMILES for bis(but-2-ene);1-methyl-3-propylidenecyclopentane is CC=CC.CC=CC.CCC=C1CCC(C)C1.
What is the InChIKey of bis(but-2-ene);1-methyl-3-propylidenecyclopentane?
The InChIKey is SHPFAZKLURNRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.2C4H8/c1-3-4-9-6-5-8(2)7-9;2*1-3-4-2/h4,8H,3,5-7H2,1-2H3;2*3-4H,1-2H3.
What are the key properties of bis(but-2-ene);1-methyl-3-propylidenecyclopentane?
bis(but-2-ene);1-methyl-3-propylidenecyclopentane has a molecular weight of 236.44 g/mol, XLogP of 6.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-2-ene);1-methyl-3-propylidenecyclopentane is sourced from PubChem (CID 173439667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).