(Z)-2,6,6-trimethylnon-7-ene-2,3-diol

C12H24O2 — CID 58545194

IUPAC(Z)-2,6,6-trimethylnon-7-ene-2,3-diol
SMILESC/C=C\C(C)(C)CCC(O)C(C)(C)O
InChIInChI=1S/C12H24O2/c1-6-8-11(2,3)9-7-10(13)12(4,5)14/h6,8,10,13-14H,7,9H2,1-5H3/b8-6-
InChIKeyZEHVVQKNGFKRJU-VURMDHGXSA-N
MW200.32 g/mol
LogP2.50
Rot. Bonds5

About (Z)-2,6,6-trimethylnon-7-ene-2,3-diol

(Z)-2,6,6-trimethylnon-7-ene-2,3-diol (PubChem CID 58545194) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (Z)-2,6,6-trimethylnon-7-ene-2,3-diol.

Molecular Properties

Compound Name(Z)-2,6,6-trimethylnon-7-ene-2,3-diol
PubChem CID58545194
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(Z)-2,6,6-trimethylnon-7-ene-2,3-diol
SMILESC/C=C\C(C)(C)CCC(O)C(C)(C)O
InChIInChI=1S/C12H24O2/c1-6-8-11(2,3)9-7-10(13)12(4,5)14/h6,8,10,13-14H,7,9H2,1-5H3/b8-6-
InChIKeyZEHVVQKNGFKRJU-VURMDHGXSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (Z)-2,6,6-trimethylnon-7-ene-2,3-diol?
The IUPAC name of (Z)-2,6,6-trimethylnon-7-ene-2,3-diol (CID 58545194) is (Z)-2,6,6-trimethylnon-7-ene-2,3-diol.
What is the SMILES notation for (Z)-2,6,6-trimethylnon-7-ene-2,3-diol?
The canonical SMILES for (Z)-2,6,6-trimethylnon-7-ene-2,3-diol is C/C=C\C(C)(C)CCC(O)C(C)(C)O.
What is the InChIKey of (Z)-2,6,6-trimethylnon-7-ene-2,3-diol?
The InChIKey is ZEHVVQKNGFKRJU-VURMDHGXSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-8-11(2,3)9-7-10(13)12(4,5)14/h6,8,10,13-14H,7,9H2,1-5H3/b8-6-.
What are the key properties of (Z)-2,6,6-trimethylnon-7-ene-2,3-diol?
(Z)-2,6,6-trimethylnon-7-ene-2,3-diol has a molecular weight of 200.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,6,6-trimethylnon-7-ene-2,3-diol is sourced from PubChem (CID 58545194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).