3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol

C15H26O — CID 14286039

IUPAC3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
SMILESCC1=CC2(CC1)C(C)CCC(C(C)C)C2O
InChIInChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(14(13)16)8-7-11(3)9-15/h9-10,12-14,16H,5-8H2,1-4H3
InChIKeyMYLXGCVCCZCOHU-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About 3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol

3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol (PubChem CID 14286039) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol.

Molecular Properties

Compound Name3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
PubChem CID14286039
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
SMILESCC1=CC2(CC1)C(C)CCC(C(C)C)C2O
InChIInChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(14(13)16)8-7-11(3)9-15/h9-10,12-14,16H,5-8H2,1-4H3
InChIKeyMYLXGCVCCZCOHU-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
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 3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol?
The IUPAC name of 3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol (CID 14286039) is 3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol.
What is the SMILES notation for 3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol?
The canonical SMILES for 3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol is CC1=CC2(CC1)C(C)CCC(C(C)C)C2O.
What is the InChIKey of 3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol?
The InChIKey is MYLXGCVCCZCOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(14(13)16)8-7-11(3)9-15/h9-10,12-14,16H,5-8H2,1-4H3.
What are the key properties of 3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol?
3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol is sourced from PubChem (CID 14286039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).