2,3-dimethylspiro[3.3]hept-1-ene

C9H14 — CID 123913952

IUPAC2,3-dimethylspiro[3.3]hept-1-ene
SMILESCC1=CC2(CCC2)C1C
InChIInChI=1S/C9H14/c1-7-6-9(8(7)2)4-3-5-9/h6,8H,3-5H2,1-2H3
InChIKeyINHBDMRTJCTAJT-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About 2,3-dimethylspiro[3.3]hept-1-ene

2,3-dimethylspiro[3.3]hept-1-ene (PubChem CID 123913952) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2,3-dimethylspiro[3.3]hept-1-ene.

Molecular Properties

Compound Name2,3-dimethylspiro[3.3]hept-1-ene
PubChem CID123913952
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2,3-dimethylspiro[3.3]hept-1-ene
SMILESCC1=CC2(CCC2)C1C
InChIInChI=1S/C9H14/c1-7-6-9(8(7)2)4-3-5-9/h6,8H,3-5H2,1-2H3
InChIKeyINHBDMRTJCTAJT-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
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

4,5-dimethylspiro[2.4]hept-5-en-7-one
CID 102097578
(6S)-1,5,5,6-tetramethylcyclohexene
CID 11768696
(4S,9S,10R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene
CID 6432491
(1S,4S,9S,13R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene
CID 162958680
5,8-dimethylspiro[3.4]octane;propane
CID 90899958
[(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol
CID 163000428
(1S,5R,6S,11R,15R,23S)-1,5,6,7,11,15,19,19,23-nonamethylhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-7-ene
CID 10743294
(1R,2S,5R,8S)-2,5,6,8-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
CID 162984216
[1-(2,4,6-trimethylphenyl)cyclobutyl]methanol
CID 116963739
7,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-6-en-8-ol
CID 162899953
(8S)-2,3,3,7,7,8-hexamethylazocane
CID 89004687
1,6,7-trimethylcycloheptene
CID 91039124

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylspiro[3.3]hept-1-ene?
The IUPAC name of 2,3-dimethylspiro[3.3]hept-1-ene (CID 123913952) is 2,3-dimethylspiro[3.3]hept-1-ene.
What is the SMILES notation for 2,3-dimethylspiro[3.3]hept-1-ene?
The canonical SMILES for 2,3-dimethylspiro[3.3]hept-1-ene is CC1=CC2(CCC2)C1C.
What is the InChIKey of 2,3-dimethylspiro[3.3]hept-1-ene?
The InChIKey is INHBDMRTJCTAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-7-6-9(8(7)2)4-3-5-9/h6,8H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethylspiro[3.3]hept-1-ene?
2,3-dimethylspiro[3.3]hept-1-ene has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylspiro[3.3]hept-1-ene is sourced from PubChem (CID 123913952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).