2,2-dimethylhex-5-ene-1,3-diol

C8H16O2 — CID 15749013

IUPAC2,2-dimethylhex-5-ene-1,3-diol
SMILESC=CCC(O)C(C)(C)CO
InChIInChI=1S/C8H16O2/c1-4-5-7(10)8(2,3)6-9/h4,7,9-10H,1,5-6H2,2-3H3
InChIKeyIJNKEFJDDPWKQT-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.94
Rot. Bonds4

About 2,2-dimethylhex-5-ene-1,3-diol

2,2-dimethylhex-5-ene-1,3-diol (PubChem CID 15749013) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2,2-dimethylhex-5-ene-1,3-diol.

Molecular Properties

Compound Name2,2-dimethylhex-5-ene-1,3-diol
PubChem CID15749013
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2,2-dimethylhex-5-ene-1,3-diol
SMILESC=CCC(O)C(C)(C)CO
InChIInChI=1S/C8H16O2/c1-4-5-7(10)8(2,3)6-9/h4,7,9-10H,1,5-6H2,2-3H3
InChIKeyIJNKEFJDDPWKQT-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethylhex-5-en-1-ol
CID 10240821
2,2-Dimethyl-5-hexen-3-ol
CID 140556
4,4-Dimethyl-5-hexen-1-ol
CID 12511056
(E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol
CID 134905987
(Z)-2,2,9,9-tetramethyldec-5-ene-3,8-diol
CID 134906099
(3S)-2,2-dimethylhex-5-en-3-ol
CID 11018892
Allylpentaerythritol
CID 54046083
5,5-Dimethylhept-6-ene-1,4-diol
CID 85973362
Triallylpentaerythrit
CID 129699743
2,2-Bis(hydroxymethyl)-3-prop-2-enylhex-5-ene-1,3-diol
CID 132280866
7-Octen-3-ol, 2,2-dimethyl-5-methylene-
CID 21155950
(3S,4R)-4-methylhex-5-ene-1,3-diol
CID 11957881

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhex-5-ene-1,3-diol?
The IUPAC name of 2,2-dimethylhex-5-ene-1,3-diol (CID 15749013) is 2,2-dimethylhex-5-ene-1,3-diol.
What is the SMILES notation for 2,2-dimethylhex-5-ene-1,3-diol?
The canonical SMILES for 2,2-dimethylhex-5-ene-1,3-diol is C=CCC(O)C(C)(C)CO.
What is the InChIKey of 2,2-dimethylhex-5-ene-1,3-diol?
The InChIKey is IJNKEFJDDPWKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-7(10)8(2,3)6-9/h4,7,9-10H,1,5-6H2,2-3H3.
What are the key properties of 2,2-dimethylhex-5-ene-1,3-diol?
2,2-dimethylhex-5-ene-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhex-5-ene-1,3-diol is sourced from PubChem (CID 15749013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).