(4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol

C13H22O — CID 10899526

IUPAC(4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol
SMILESCC1=CCC(CO)C12CCC(C)CC2
InChIInChI=1S/C13H22O/c1-10-5-7-13(8-6-10)11(2)3-4-12(13)9-14/h3,10,12,14H,4-9H2,1-2H3
InChIKeyORRNSJXHJQUTDY-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds1

About (4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol

(4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol (PubChem CID 10899526) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol.

Molecular Properties

Compound Name(4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol
PubChem CID10899526
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol
SMILESCC1=CCC(CO)C12CCC(C)CC2
InChIInChI=1S/C13H22O/c1-10-5-7-13(8-6-10)11(2)3-4-12(13)9-14/h3,10,12,14H,4-9H2,1-2H3
InChIKeyORRNSJXHJQUTDY-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
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 (4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol?
The IUPAC name of (4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol (CID 10899526) is (4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol.
What is the SMILES notation for (4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol?
The canonical SMILES for (4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol is CC1=CCC(CO)C12CCC(C)CC2.
What is the InChIKey of (4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol?
The InChIKey is ORRNSJXHJQUTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-10-5-7-13(8-6-10)11(2)3-4-12(13)9-14/h3,10,12,14H,4-9H2,1-2H3.
What are the key properties of (4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol?
(4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol has a molecular weight of 194.32 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol is sourced from PubChem (CID 10899526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).