7-prop-2-enylspiro[2.5]octane

C11H18 — CID 163452278

IUPAC7-prop-2-enylspiro[2.5]octane
SMILESC=CCC1CCCC2(CC2)C1
InChIInChI=1S/C11H18/c1-2-4-10-5-3-6-11(9-10)7-8-11/h2,10H,1,3-9H2
InChIKeyBHOVJVIMPKILPR-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.53
Rot. Bonds2

About 7-prop-2-enylspiro[2.5]octane

7-prop-2-enylspiro[2.5]octane (PubChem CID 163452278) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 7-prop-2-enylspiro[2.5]octane.

Molecular Properties

Compound Name7-prop-2-enylspiro[2.5]octane
PubChem CID163452278
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name7-prop-2-enylspiro[2.5]octane
SMILESC=CCC1CCCC2(CC2)C1
InChIInChI=1S/C11H18/c1-2-4-10-5-3-6-11(9-10)7-8-11/h2,10H,1,3-9H2
InChIKeyBHOVJVIMPKILPR-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
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

[(7S)-spiro[2.5]octan-7-yl]methanol
CID 163342255
1,4-bis(prop-2-enyl)cyclooctane
CID 175303575
8-(2,2-dimethylpropyl)spiro[3.5]nonane
CID 140644547
2-spiro[4.5]decan-9-ylacetic acid
CID 150402729
1-bromo-3-prop-2-enylcyclohexane
CID 64508046
8-[1,3-bis(prop-2-enyl)cyclohexyl]-3,7-dihydropurine-2,6-dione
CID 54539716
1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18724330
4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane
CID 115410369
7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one
CID 107430581
8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
CID 130067842
3-prop-2-enyloxolane
CID 22481091
3-spiro[4.6]undecan-10-ylpropane-1-thiol
CID 146553985

Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enylspiro[2.5]octane?
The IUPAC name of 7-prop-2-enylspiro[2.5]octane (CID 163452278) is 7-prop-2-enylspiro[2.5]octane.
What is the SMILES notation for 7-prop-2-enylspiro[2.5]octane?
The canonical SMILES for 7-prop-2-enylspiro[2.5]octane is C=CCC1CCCC2(CC2)C1.
What is the InChIKey of 7-prop-2-enylspiro[2.5]octane?
The InChIKey is BHOVJVIMPKILPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-4-10-5-3-6-11(9-10)7-8-11/h2,10H,1,3-9H2.
What are the key properties of 7-prop-2-enylspiro[2.5]octane?
7-prop-2-enylspiro[2.5]octane has a molecular weight of 150.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enylspiro[2.5]octane is sourced from PubChem (CID 163452278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).