1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol

C14H22O — CID 135017310

IUPAC1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol
SMILESCC1=CCC2(CC1)C(C)CC=CC2(C)O
InChIInChI=1S/C14H22O/c1-11-6-9-14(10-7-11)12(2)5-4-8-13(14,3)15/h4,6,8,12,15H,5,7,9-10H2,1-3H3
InChIKeyDBASZLXAQGEFAT-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.45
Rot. Bonds

About 1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol

1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol (PubChem CID 135017310) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol.

Molecular Properties

Compound Name1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol
PubChem CID135017310
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol
SMILESCC1=CCC2(CC1)C(C)CC=CC2(C)O
InChIInChI=1S/C14H22O/c1-11-6-9-14(10-7-11)12(2)5-4-8-13(14,3)15/h4,6,8,12,15H,5,7,9-10H2,1-3H3
InChIKeyDBASZLXAQGEFAT-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6,9,9-tetramethyl-2,3,4,5,8,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol
CID 162871416
(1R,3E,7E)-1,5,5,8-tetramethylcycloundeca-3,7-dien-1-ol
CID 162927555
(3aR,8aR)-6,8a-dimethyl-1,2,3,4,5,8-hexahydroazulen-3a-ol
CID 146180999
1-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]ethanone
CID 76962993
(1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol
CID 177497934
(1S,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
CID 102207117
4-methyl-1-(trifluoromethyl)cyclohex-3-ene-1-carboxylic acid
CID 14806091
1,8-dimethylspiro[4.5]dec-8-en-4-one
CID 10997609
(4S)-3,3,4-trimethylcyclopentene
CID 148718226
2-[(1S,5R)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
CID 11972555
2-[(1S,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
CID 23642749
1,5-dimethylcyclohepta-2,5-dien-1-ol
CID 143034749

Frequently Asked Questions

What is the IUPAC name of 1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol?
The IUPAC name of 1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol (CID 135017310) is 1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol.
What is the SMILES notation for 1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol?
The canonical SMILES for 1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol is CC1=CCC2(CC1)C(C)CC=CC2(C)O.
What is the InChIKey of 1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol?
The InChIKey is DBASZLXAQGEFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11-6-9-14(10-7-11)12(2)5-4-8-13(14,3)15/h4,6,8,12,15H,5,7,9-10H2,1-3H3.
What are the key properties of 1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol?
1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol has a molecular weight of 206.33 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol is sourced from PubChem (CID 135017310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).