9-ethynyldispiro[3.0.35.14]nonane

C11H14 — CID 170912934

IUPAC9-ethynyldispiro[3.0.35.14]nonane
SMILESC#CC1C2(CCC2)C12CCC2
InChIInChI=1S/C11H14/c1-2-9-10(5-3-6-10)11(9)7-4-8-11/h1,9H,3-8H2
InChIKeyGOVDHOHJUMCMCZ-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.59
Rot. Bonds

About 9-ethynyldispiro[3.0.35.14]nonane

9-ethynyldispiro[3.0.35.14]nonane (PubChem CID 170912934) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 9-ethynyldispiro[3.0.35.14]nonane.

Molecular Properties

Compound Name9-ethynyldispiro[3.0.35.14]nonane
PubChem CID170912934
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name9-ethynyldispiro[3.0.35.14]nonane
SMILESC#CC1C2(CCC2)C12CCC2
InChIInChI=1S/C11H14/c1-2-9-10(5-3-6-10)11(9)7-4-8-11/h1,9H,3-8H2
InChIKeyGOVDHOHJUMCMCZ-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-bromodispiro[3.0.35.14]nonane
CID 155822084
(1R,6S)-10-bromotricyclo[4.3.1.01,6]decane
CID 14268506
1-cyclopentyl-1-(1-cyclopentylcyclobutyl)cyclohexane
CID 175602198
2-ethynyl-6-azaspiro[2.5]octane
CID 121207548
(4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane
CID 163699419
4-ethynyl-1-[(1-hydroxycyclobutyl)methyl]pyrrolidin-2-one
CID 168501543
hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane
CID 177393049
1-prop-2-ynylcyclobutan-1-ol
CID 22129000
(5S)-5-methyldispiro[2.0.24.33]nonane
CID 171818951
cis-(1R,3S)-3-ethynylcyclohexane-1-carbaldehyde
CID 45079260
1-pent-4-ynylcyclobutane-1-carbaldehyde
CID 131231194
(3S,3aS,6aR)-3-ethynyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ol
CID 100969657

Frequently Asked Questions

What is the IUPAC name of 9-ethynyldispiro[3.0.35.14]nonane?
The IUPAC name of 9-ethynyldispiro[3.0.35.14]nonane (CID 170912934) is 9-ethynyldispiro[3.0.35.14]nonane.
What is the SMILES notation for 9-ethynyldispiro[3.0.35.14]nonane?
The canonical SMILES for 9-ethynyldispiro[3.0.35.14]nonane is C#CC1C2(CCC2)C12CCC2.
What is the InChIKey of 9-ethynyldispiro[3.0.35.14]nonane?
The InChIKey is GOVDHOHJUMCMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-2-9-10(5-3-6-10)11(9)7-4-8-11/h1,9H,3-8H2.
What are the key properties of 9-ethynyldispiro[3.0.35.14]nonane?
9-ethynyldispiro[3.0.35.14]nonane has a molecular weight of 146.23 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethynyldispiro[3.0.35.14]nonane is sourced from PubChem (CID 170912934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).