2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol

C11H20O3 — CID 23007820

IUPAC2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol
SMILESC=CCC(O)(CC=C)C(C)(CO)CO
InChIInChI=1S/C11H20O3/c1-4-6-11(14,7-5-2)10(3,8-12)9-13/h4-5,12-14H,1-2,6-9H2,3H3
InChIKeyCSZXOBDEMUFGHS-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.86
Rot. Bonds7

About 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol

2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol (PubChem CID 23007820) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol
PubChem CID23007820
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol
SMILESC=CCC(O)(CC=C)C(C)(CO)CO
InChIInChI=1S/C11H20O3/c1-4-6-11(14,7-5-2)10(3,8-12)9-13/h4-5,12-14H,1-2,6-9H2,3H3
InChIKeyCSZXOBDEMUFGHS-UHFFFAOYSA-N
XLogP0.86
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-fluoro-2-methylpent-4-en-1-ol
CID 57283986
2-(1-hydroxy-2-methylpent-4-en-2-yl)oxy-2-methylpent-4-en-1-ol
CID 87872077
(4S)-4-methylhept-6-ene-1,4-diol
CID 10464446
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
2-prop-2-enylpent-4-ene-1,2-diol
CID 13218060
2-amino-2-methylpent-4-en-1-ol
CID 55291318
(3S)-3-methylhexa-1,5-dien-3-ol
CID 11564468
5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one
CID 44720477
2-methyl-1-methylsulfanylpent-4-en-2-ol
CID 13218065
1-amino-2-methylpent-4-en-2-ol;hydrochloride
CID 134542347
methyl 2-(hydroxymethyl)-2-methylpent-4-enoate
CID 18728417
2-pentyl-2-prop-2-enylpropane-1,3-diol
CID 87313857

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol (CID 23007820) is 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol is C=CCC(O)(CC=C)C(C)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol?
The InChIKey is CSZXOBDEMUFGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-6-11(14,7-5-2)10(3,8-12)9-13/h4-5,12-14H,1-2,6-9H2,3H3.
What are the key properties of 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol?
2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol has a molecular weight of 200.28 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol is sourced from PubChem (CID 23007820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).