7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol

C15H24O2 — CID 14165724

IUPAC7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol
SMILESC=C1C2C(O)C3C(C(C)C)CCC1(C)C3C2O
InChIInChI=1S/C15H24O2/c1-7(2)9-5-6-15(4)8(3)10-13(16)11(9)12(15)14(10)17/h7,9-14,16-17H,3,5-6H2,1-2,4H3
InChIKeyJKWAVUHQXGRTII-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.21
Rot. Bonds1

About 7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol

7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol (PubChem CID 14165724) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol.

Molecular Properties

Compound Name7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol
PubChem CID14165724
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol
SMILESC=C1C2C(O)C3C(C(C)C)CCC1(C)C3C2O
InChIInChI=1S/C15H24O2/c1-7(2)9-5-6-15(4)8(3)10-13(16)11(9)12(15)14(10)17/h7,9-14,16-17H,3,5-6H2,1-2,4H3
InChIKeyJKWAVUHQXGRTII-UHFFFAOYSA-N
XLogP2.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol?
The IUPAC name of 7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol (CID 14165724) is 7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol.
What is the SMILES notation for 7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol?
The canonical SMILES for 7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol is C=C1C2C(O)C3C(C(C)C)CCC1(C)C3C2O.
What is the InChIKey of 7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol?
The InChIKey is JKWAVUHQXGRTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-7(2)9-5-6-15(4)8(3)10-13(16)11(9)12(15)14(10)17/h7,9-14,16-17H,3,5-6H2,1-2,4H3.
What are the key properties of 7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol?
7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol has a molecular weight of 236.35 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol is sourced from PubChem (CID 14165724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).