2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol

C15H24O — CID 577203

IUPAC2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol
SMILESCC1=CCC2C3C(C(C)C)C(O)CC2(C)C13
InChIInChI=1S/C15H24O/c1-8(2)12-11(16)7-15(4)10-6-5-9(3)14(15)13(10)12/h5,8,10-14,16H,6-7H2,1-4H3
InChIKeyBVCNHEVITXGCEP-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.24
Rot. Bonds1

About 2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol

2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol (PubChem CID 577203) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol.

Molecular Properties

Compound Name2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol
PubChem CID577203
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol
SMILESCC1=CCC2C3C(C(C)C)C(O)CC2(C)C13
InChIInChI=1S/C15H24O/c1-8(2)12-11(16)7-15(4)10-6-5-9(3)14(15)13(10)12/h5,8,10-14,16H,6-7H2,1-4H3
InChIKeyBVCNHEVITXGCEP-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol?
The IUPAC name of 2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol (CID 577203) is 2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol.
What is the SMILES notation for 2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol?
The canonical SMILES for 2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol is CC1=CCC2C3C(C(C)C)C(O)CC2(C)C13.
What is the InChIKey of 2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol?
The InChIKey is BVCNHEVITXGCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-8(2)12-11(16)7-15(4)10-6-5-9(3)14(15)13(10)12/h5,8,10-14,16H,6-7H2,1-4H3.
What are the key properties of 2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol?
2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol has a molecular weight of 220.36 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]dec-8-en-4-ol is sourced from PubChem (CID 577203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).