(2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol

C16H24O — CID 177466092

IUPAC(2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol
SMILESCC1=C=CCC(C)(C)/C=C/C(O)/C(C)=C/CC1
InChIInChI=1S/C16H24O/c1-13-7-5-9-14(2)15(17)10-12-16(3,4)11-6-8-13/h6,9-10,12,15,17H,5,7,11H2,1-4H3/b12-10+,14-9+
InChIKeyNOGHQXHYDHXYNN-LSBMZBKTSA-N
MW232.37 g/mol
LogP4.16
Rot. Bonds

About (2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol

(2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol (PubChem CID 177466092) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol.

Molecular Properties

Compound Name(2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol
PubChem CID177466092
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol
SMILESCC1=C=CCC(C)(C)/C=C/C(O)/C(C)=C/CC1
InChIInChI=1S/C16H24O/c1-13-7-5-9-14(2)15(17)10-12-16(3,4)11-6-8-13/h6,9-10,12,15,17H,5,7,11H2,1-4H3/b12-10+,14-9+
InChIKeyNOGHQXHYDHXYNN-LSBMZBKTSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.16
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

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(1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
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CID 19804842
5,8,8-trimethylcycloundeca-1,5,9-triene-1-carboxylic acid
CID 74202895
8-hydroxy-4,8a-dimethyl-2,3,3a,6,7,8-hexahydroazulen-1-one
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Frequently Asked Questions

What is the IUPAC name of (2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol?
The IUPAC name of (2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol (CID 177466092) is (2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol.
What is the SMILES notation for (2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol?
The canonical SMILES for (2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol is CC1=C=CCC(C)(C)/C=C/C(O)/C(C)=C/CC1.
What is the InChIKey of (2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol?
The InChIKey is NOGHQXHYDHXYNN-LSBMZBKTSA-N. The full InChI is InChI=1S/C16H24O/c1-13-7-5-9-14(2)15(17)10-12-16(3,4)11-6-8-13/h6,9-10,12,15,17H,5,7,11H2,1-4H3/b12-10+,14-9+.
What are the key properties of (2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol?
(2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol is sourced from PubChem (CID 177466092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).