(3R)-3,5-dimethylhex-5-ene-1,3-diol

C8H16O2 — CID 14831815

IUPAC(3R)-3,5-dimethylhex-5-ene-1,3-diol
SMILESC=C(C)C[C@@](C)(O)CCO
InChIInChI=1S/C8H16O2/c1-7(2)6-8(3,10)4-5-9/h9-10H,1,4-6H2,2-3H3/t8-/m0/s1
InChIKeyUYZNPKCKNNNJED-QMMMGPOBSA-N
MW144.21 g/mol
LogP1.09
Rot. Bonds4

About (3R)-3,5-dimethylhex-5-ene-1,3-diol

(3R)-3,5-dimethylhex-5-ene-1,3-diol (PubChem CID 14831815) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3R)-3,5-dimethylhex-5-ene-1,3-diol.

Molecular Properties

Compound Name(3R)-3,5-dimethylhex-5-ene-1,3-diol
PubChem CID14831815
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3R)-3,5-dimethylhex-5-ene-1,3-diol
SMILESC=C(C)C[C@@](C)(O)CCO
InChIInChI=1S/C8H16O2/c1-7(2)6-8(3,10)4-5-9/h9-10H,1,4-6H2,2-3H3/t8-/m0/s1
InChIKeyUYZNPKCKNNNJED-QMMMGPOBSA-N
XLogP1.09
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 ≤ 51.09
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

3,5-dimethylhex-5-en-3-ol
CID 552026
acetic acid;3,5-dihydroxy-3-methylpentanoic acid
CID 175134746
3,5-dihydroxy-3-methylpentanoic acid;ethene
CID 174870453
(4S)-1-bromo-4,6-dihydroxy-4-methylhexan-2-one
CID 14831813
(3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide
CID 87266925
3-methyl-4-sulfanylbutane-1,3-diol
CID 87233206
(3R)-3,6-dimethylhept-5-ene-1,3-diol
CID 154719567
5-methyl-3-phenylhex-5-ene-1,3-diol
CID 90346624
3,5-dihydroxy-3-methylpentanoate;tetramethylazanium
CID 175459408
(3S)-3,5-dihydroxy-3-methylpentanal
CID 131159898
ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
CID 160601103
propane;2,4,4-trimethylpent-1-ene
CID 145388380

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-dimethylhex-5-ene-1,3-diol?
The IUPAC name of (3R)-3,5-dimethylhex-5-ene-1,3-diol (CID 14831815) is (3R)-3,5-dimethylhex-5-ene-1,3-diol.
What is the SMILES notation for (3R)-3,5-dimethylhex-5-ene-1,3-diol?
The canonical SMILES for (3R)-3,5-dimethylhex-5-ene-1,3-diol is C=C(C)C[C@@](C)(O)CCO.
What is the InChIKey of (3R)-3,5-dimethylhex-5-ene-1,3-diol?
The InChIKey is UYZNPKCKNNNJED-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)6-8(3,10)4-5-9/h9-10H,1,4-6H2,2-3H3/t8-/m0/s1.
What are the key properties of (3R)-3,5-dimethylhex-5-ene-1,3-diol?
(3R)-3,5-dimethylhex-5-ene-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-dimethylhex-5-ene-1,3-diol is sourced from PubChem (CID 14831815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).