2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol

C10H18O2 — CID 91084662

IUPAC2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol
SMILESCC(CO)CC=CCC1OC1C
InChIInChI=1S/C10H18O2/c1-8(7-11)5-3-4-6-10-9(2)12-10/h3-4,8-11H,5-7H2,1-2H3
InChIKeyCDGXTWHZSVAIHZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.74
Rot. Bonds5

About 2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol

2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol (PubChem CID 91084662) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol.

Molecular Properties

Compound Name2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol
PubChem CID91084662
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol
SMILESCC(CO)CC=CCC1OC1C
InChIInChI=1S/C10H18O2/c1-8(7-11)5-3-4-6-10-9(2)12-10/h3-4,8-11H,5-7H2,1-2H3
InChIKeyCDGXTWHZSVAIHZ-UHFFFAOYSA-N
XLogP1.74
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,2R,7S)-2-methyloct-4-ene-1,7-diol
CID 102067168
(4E)-2,6-dimethylhepta-4,6-dien-1-ol
CID 130146963
2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
CID 54245932
ethane;2-methyl-3-(2-methylbutyl)oxirane
CID 143374675
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
(E)-5-methoxy-2-methylhex-4-en-1-ol
CID 142061120
[(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol
CID 147504742
ethane;2-methylpropane-1,3-diol
CID 87127502
(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol
CID 118580383
2-methyl-4-(3-methyloxiran-2-yl)butanal
CID 89097955
(2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol
CID 59696974
2-methyl-4-(3-methyloxiran-2-yl)but-2-enoic acid
CID 90700431

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol?
The IUPAC name of 2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol (CID 91084662) is 2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol.
What is the SMILES notation for 2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol?
The canonical SMILES for 2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol is CC(CO)CC=CCC1OC1C.
What is the InChIKey of 2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol?
The InChIKey is CDGXTWHZSVAIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(7-11)5-3-4-6-10-9(2)12-10/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of 2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol?
2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol is sourced from PubChem (CID 91084662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).