(E)-2-prop-2-enoxyhex-4-en-3-ol

C9H16O2 — CID 89174022

IUPAC(E)-2-prop-2-enoxyhex-4-en-3-ol
SMILESC=CCOC(C)C(O)/C=C/C
InChIInChI=1S/C9H16O2/c1-4-6-9(10)8(3)11-7-5-2/h4-6,8-10H,2,7H2,1,3H3/b6-4+
InChIKeyNCMJVCLQRVWFBC-GQCTYLIASA-N
MW156.22 g/mol
LogP1.51
Rot. Bonds5

About (E)-2-prop-2-enoxyhex-4-en-3-ol

(E)-2-prop-2-enoxyhex-4-en-3-ol (PubChem CID 89174022) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (E)-2-prop-2-enoxyhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-2-prop-2-enoxyhex-4-en-3-ol
PubChem CID89174022
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(E)-2-prop-2-enoxyhex-4-en-3-ol
SMILESC=CCOC(C)C(O)/C=C/C
InChIInChI=1S/C9H16O2/c1-4-6-9(10)8(3)11-7-5-2/h4-6,8-10H,2,7H2,1,3H3/b6-4+
InChIKeyNCMJVCLQRVWFBC-GQCTYLIASA-N
XLogP1.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.51
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-prop-2-enoxybutane-1,2-diol
CID 14859753
hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid
CID 174494708
(3S,4R,5E)-hepta-1,5-diene-3,4-diol
CID 131234166
1,2-bis(prop-2-enoxy)propan-1-amine
CID 88546500
3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium
CID 161486686
(2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 10954135
(E,4R,5S)-5-hydroxy-4-prop-2-enoxyhex-2-enal
CID 102299127
(5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol
CID 13263785
(2S)-4-methyl-3-prop-2-enoxypentane-1,2-diol
CID 59911129
(Z,3S,4S)-hept-5-ene-3,4-diol
CID 134854667
dimethyl-bis(1-prop-2-enoxyethyl)azanium
CID 87092032

Frequently Asked Questions

What is the IUPAC name of (E)-2-prop-2-enoxyhex-4-en-3-ol?
The IUPAC name of (E)-2-prop-2-enoxyhex-4-en-3-ol (CID 89174022) is (E)-2-prop-2-enoxyhex-4-en-3-ol.
What is the SMILES notation for (E)-2-prop-2-enoxyhex-4-en-3-ol?
The canonical SMILES for (E)-2-prop-2-enoxyhex-4-en-3-ol is C=CCOC(C)C(O)/C=C/C.
What is the InChIKey of (E)-2-prop-2-enoxyhex-4-en-3-ol?
The InChIKey is NCMJVCLQRVWFBC-GQCTYLIASA-N. The full InChI is InChI=1S/C9H16O2/c1-4-6-9(10)8(3)11-7-5-2/h4-6,8-10H,2,7H2,1,3H3/b6-4+.
What are the key properties of (E)-2-prop-2-enoxyhex-4-en-3-ol?
(E)-2-prop-2-enoxyhex-4-en-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-prop-2-enoxyhex-4-en-3-ol is sourced from PubChem (CID 89174022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).