(6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol

C13H24O — CID 88710023

IUPAC(6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol
SMILESC=C/C(C)=C/CCC(C)(O)C(C)(C)C
InChIInChI=1S/C13H24O/c1-7-11(2)9-8-10-13(6,14)12(3,4)5/h7,9,14H,1,8,10H2,2-6H3/b11-9+
InChIKeyXIQAXJKWTLRWIL-PKNBQFBNSA-N
MW196.33 g/mol
LogP3.70
Rot. Bonds4

About (6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol

(6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol (PubChem CID 88710023) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol.

Molecular Properties

Compound Name(6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol
PubChem CID88710023
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol
SMILESC=C/C(C)=C/CCC(C)(O)C(C)(C)C
InChIInChI=1S/C13H24O/c1-7-11(2)9-8-10-13(6,14)12(3,4)5/h7,9,14H,1,8,10H2,2-6H3/b11-9+
InChIKeyXIQAXJKWTLRWIL-PKNBQFBNSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol?
The IUPAC name of (6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol (CID 88710023) is (6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol.
What is the SMILES notation for (6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol?
The canonical SMILES for (6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol is C=C/C(C)=C/CCC(C)(O)C(C)(C)C.
What is the InChIKey of (6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol?
The InChIKey is XIQAXJKWTLRWIL-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H24O/c1-7-11(2)9-8-10-13(6,14)12(3,4)5/h7,9,14H,1,8,10H2,2-6H3/b11-9+.
What are the key properties of (6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol?
(6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol has a molecular weight of 196.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,2,3,7-tetramethylnona-6,8-dien-3-ol is sourced from PubChem (CID 88710023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).