5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene

C13H18 — CID 91414516

IUPAC5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene
SMILESCC(C)C1C=CC2C3CC23C=CC1
InChIInChI=1S/C13H18/c1-9(2)10-4-3-7-13-8-12(13)11(13)6-5-10/h3,5-7,9-12H,4,8H2,1-2H3
InChIKeyUJMKCHYJOTVAHP-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.41
Rot. Bonds1

About 5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene

5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene (PubChem CID 91414516) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene.

Molecular Properties

Compound Name5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene
PubChem CID91414516
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene
SMILESCC(C)C1C=CC2C3CC23C=CC1
InChIInChI=1S/C13H18/c1-9(2)10-4-3-7-13-8-12(13)11(13)6-5-10/h3,5-7,9-12H,4,8H2,1-2H3
InChIKeyUJMKCHYJOTVAHP-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.41
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

(2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene
CID 134887020
(1S,2Z,6Z,8R)-9,9-dimethylbicyclo[6.1.0]nona-2,6-diene
CID 134900772
2-Methyl-1-pent-3-enylbicyclo[1.1.0]butane
CID 90930588
2-Hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane
CID 90961338
2-But-2-enyl-1-methylbicyclo[1.1.0]butane
CID 123185541
1,2-Dimethyl-4-(2-methylhexa-3,5-dienylidene)bicyclo[1.1.0]butane
CID 123205512
2-But-1-enyl-4-ethyl-2,4-dimethylbicyclo[1.1.0]butane
CID 123224638
2-Methyl-1-prop-1-enylbicyclo[1.1.0]butane
CID 123286509
4-Ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane
CID 123310816
1-But-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane
CID 123346214
1-Methyl-3-pent-3-en-2-ylbicyclo[1.1.0]butane
CID 123346528
1-[2-(2-Tert-butylcyclopropyl)ethenyl]-2-methylcyclobutane
CID 123444911

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene?
The IUPAC name of 5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene (CID 91414516) is 5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene.
What is the SMILES notation for 5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene?
The canonical SMILES for 5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene is CC(C)C1C=CC2C3CC23C=CC1.
What is the InChIKey of 5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene?
The InChIKey is UJMKCHYJOTVAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-9(2)10-4-3-7-13-8-12(13)11(13)6-5-10/h3,5-7,9-12H,4,8H2,1-2H3.
What are the key properties of 5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene?
5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene has a molecular weight of 174.29 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yltricyclo[6.2.0.01,9]deca-2,6-diene is sourced from PubChem (CID 91414516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).