(E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol

C9H16O2 — CID 23017926

IUPAC(E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol
SMILESCC1(/C=C/CO)CCOCC1
InChIInChI=1S/C9H16O2/c1-9(3-2-6-10)4-7-11-8-5-9/h2-3,10H,4-8H2,1H3/b3-2+
InChIKeyABRKSHCZCSPBRO-NSCUHMNNSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds2

About (E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol

(E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol (PubChem CID 23017926) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol
PubChem CID23017926
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol
SMILESCC1(/C=C/CO)CCOCC1
InChIInChI=1S/C9H16O2/c1-9(3-2-6-10)4-7-11-8-5-9/h2-3,10H,4-8H2,1H3/b3-2+
InChIKeyABRKSHCZCSPBRO-NSCUHMNNSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methyloxan-4-yl)prop-2-enenitrile
CID 145219646
ethane;2-methylbutan-2-ol;(E)-4-(4-methyloxan-4-yl)but-3-en-2-one
CID 143188566
(2S)-3-[(4-methyloxan-4-yl)amino]propane-1,2-diol
CID 104866602
ethyl 2-methyl-3-(4-methyloxan-4-yl)prop-2-enoate
CID 76623261
2-(4-methyloxan-4-yl)acetamide
CID 137499101
4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane
CID 143821353
ethane;(4-ethyloxan-4-yl)methanol
CID 143573647
4-(aminomethyl)oxan-4-amine
CID 43608727
N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide
CID 104866634
2-chloro-N-(4-methyloxan-4-yl)acetamide
CID 18437326
1-[4-(aminomethyl)oxan-4-yl]-2,2-dimethylcyclopentan-1-ol
CID 79863221
4-(bromomethyl)-4-methyloxane
CID 64985111

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol (CID 23017926) is (E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol is CC1(/C=C/CO)CCOCC1.
What is the InChIKey of (E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol?
The InChIKey is ABRKSHCZCSPBRO-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(3-2-6-10)4-7-11-8-5-9/h2-3,10H,4-8H2,1H3/b3-2+.
What are the key properties of (E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol?
(E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methyloxan-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 23017926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).