(3-hexyl-2-methyloxiran-2-yl)methanol

C10H20O2 — CID 86024137

IUPAC(3-hexyl-2-methyloxiran-2-yl)methanol
SMILESCCCCCCC1OC1(C)CO
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-9-10(2,8-11)12-9/h9,11H,3-8H2,1-2H3
InChIKeyRMTGPZPWWCPFDA-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds6

About (3-hexyl-2-methyloxiran-2-yl)methanol

(3-hexyl-2-methyloxiran-2-yl)methanol (PubChem CID 86024137) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3-hexyl-2-methyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(3-hexyl-2-methyloxiran-2-yl)methanol
PubChem CID86024137
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3-hexyl-2-methyloxiran-2-yl)methanol
SMILESCCCCCCC1OC1(C)CO
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-9-10(2,8-11)12-9/h9,11H,3-8H2,1-2H3
InChIKeyRMTGPZPWWCPFDA-UHFFFAOYSA-N
XLogP2.11
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol
CID 14959485
3-hexadecyloxirane-2,2-diol
CID 18949694
3-heptyl-2-methyloxiran-2-amine
CID 74220849
2,5-dioctyl-1,4-dioxaspiro[2.2]pentane
CID 22957637
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
2-hydroxy-3-nonyloxirane-2-carboxylic acid
CID 141294502
3-[(4R,6S)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]propan-1-ol
CID 134858700
2-butyl-3-pentadecyloxirane-2-carboxylic acid
CID 22078452
2-pentyl-1,4-dioxaspiro[2.2]pentane
CID 56981326
4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane
CID 91277761
1-[(1S,2S,4S,5S)-4-heptyl-2-hydroxy-5-iodo-2-methyl-3-oxabicyclo[3.1.0]hexan-1-yl]ethanone
CID 102396502

Frequently Asked Questions

What is the IUPAC name of (3-hexyl-2-methyloxiran-2-yl)methanol?
The IUPAC name of (3-hexyl-2-methyloxiran-2-yl)methanol (CID 86024137) is (3-hexyl-2-methyloxiran-2-yl)methanol.
What is the SMILES notation for (3-hexyl-2-methyloxiran-2-yl)methanol?
The canonical SMILES for (3-hexyl-2-methyloxiran-2-yl)methanol is CCCCCCC1OC1(C)CO.
What is the InChIKey of (3-hexyl-2-methyloxiran-2-yl)methanol?
The InChIKey is RMTGPZPWWCPFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-6-7-9-10(2,8-11)12-9/h9,11H,3-8H2,1-2H3.
What are the key properties of (3-hexyl-2-methyloxiran-2-yl)methanol?
(3-hexyl-2-methyloxiran-2-yl)methanol has a molecular weight of 172.27 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexyl-2-methyloxiran-2-yl)methanol is sourced from PubChem (CID 86024137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).