6-methylhept-6-ene-2,4-diol

C8H16O2 — CID 57030596

IUPAC6-methylhept-6-ene-2,4-diol
SMILESC=C(C)CC(O)CC(C)O
InChIInChI=1S/C8H16O2/c1-6(2)4-8(10)5-7(3)9/h7-10H,1,4-5H2,2-3H3
InChIKeyYRCJZZBUJRTTAV-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.08
Rot. Bonds4

About 6-methylhept-6-ene-2,4-diol

6-methylhept-6-ene-2,4-diol (PubChem CID 57030596) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 6-methylhept-6-ene-2,4-diol.

Molecular Properties

Compound Name6-methylhept-6-ene-2,4-diol
PubChem CID57030596
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name6-methylhept-6-ene-2,4-diol
SMILESC=C(C)CC(O)CC(C)O
InChIInChI=1S/C8H16O2/c1-6(2)4-8(10)5-7(3)9/h7-10H,1,4-5H2,2-3H3
InChIKeyYRCJZZBUJRTTAV-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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

(4R,6R)-2,8-dimethylnona-1,8-diene-4,6-diol
CID 134964814
2,6,7,7-tetramethyloct-1-en-4-ol
CID 115816985
1-fluoro-4-methylpent-4-en-2-ol
CID 141111870
(2R,10R)-2,4,8,10-tetrahydroxyundecan-6-one
CID 10609736
decane-2,4,7,9-tetrol
CID 87436016
2,4-dimethylpent-1-ene;ethane
CID 143336990
2,5-dimethylhex-5-en-3-amine
CID 79177176
1-ethoxy-4-methylpent-4-en-2-ol
CID 79178687
4-aminopent-4-en-2-ol
CID 88961101
1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol
CID 139888300
iron(2+);bis(pentane-2,4-diol)
CID 161218003
copper bis(pentane-2,4-diol)
CID 135036707

Frequently Asked Questions

What is the IUPAC name of 6-methylhept-6-ene-2,4-diol?
The IUPAC name of 6-methylhept-6-ene-2,4-diol (CID 57030596) is 6-methylhept-6-ene-2,4-diol.
What is the SMILES notation for 6-methylhept-6-ene-2,4-diol?
The canonical SMILES for 6-methylhept-6-ene-2,4-diol is C=C(C)CC(O)CC(C)O.
What is the InChIKey of 6-methylhept-6-ene-2,4-diol?
The InChIKey is YRCJZZBUJRTTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)4-8(10)5-7(3)9/h7-10H,1,4-5H2,2-3H3.
What are the key properties of 6-methylhept-6-ene-2,4-diol?
6-methylhept-6-ene-2,4-diol has a molecular weight of 144.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-6-ene-2,4-diol is sourced from PubChem (CID 57030596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).