8-propan-2-ylspiro[3.6]dec-9-ene

C13H22 — CID 162282124

IUPAC8-propan-2-ylspiro[3.6]dec-9-ene
SMILESCC(C)C1C=CC2(CCC1)CCC2
InChIInChI=1S/C13H22/c1-11(2)12-5-3-7-13(10-6-12)8-4-9-13/h6,10-12H,3-5,7-9H2,1-2H3
InChIKeyXPHPABDXHAMDCX-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.17
Rot. Bonds1

About 8-propan-2-ylspiro[3.6]dec-9-ene

8-propan-2-ylspiro[3.6]dec-9-ene (PubChem CID 162282124) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 8-propan-2-ylspiro[3.6]dec-9-ene.

Molecular Properties

Compound Name8-propan-2-ylspiro[3.6]dec-9-ene
PubChem CID162282124
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name8-propan-2-ylspiro[3.6]dec-9-ene
SMILESCC(C)C1C=CC2(CCC1)CCC2
InChIInChI=1S/C13H22/c1-11(2)12-5-3-7-13(10-6-12)8-4-9-13/h6,10-12H,3-5,7-9H2,1-2H3
InChIKeyXPHPABDXHAMDCX-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.17
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

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CID 11148775
(4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol
CID 177427018
(1S,2E,4R,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
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1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
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5,10,16-trimethyl-13-propan-2-yl-4,9,17-trioxatetracyclo[14.1.0.03,5.08,10]heptadec-14-ene
CID 5250430
(7Z,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 161449094
1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 520190
(1S,2E,4S,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol;(1R,2E,4S,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylspiro[3.6]dec-9-ene?
The IUPAC name of 8-propan-2-ylspiro[3.6]dec-9-ene (CID 162282124) is 8-propan-2-ylspiro[3.6]dec-9-ene.
What is the SMILES notation for 8-propan-2-ylspiro[3.6]dec-9-ene?
The canonical SMILES for 8-propan-2-ylspiro[3.6]dec-9-ene is CC(C)C1C=CC2(CCC1)CCC2.
What is the InChIKey of 8-propan-2-ylspiro[3.6]dec-9-ene?
The InChIKey is XPHPABDXHAMDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-11(2)12-5-3-7-13(10-6-12)8-4-9-13/h6,10-12H,3-5,7-9H2,1-2H3.
What are the key properties of 8-propan-2-ylspiro[3.6]dec-9-ene?
8-propan-2-ylspiro[3.6]dec-9-ene has a molecular weight of 178.32 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylspiro[3.6]dec-9-ene is sourced from PubChem (CID 162282124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).