(3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol

C11H19NO2 — CID 134933148

IUPAC(3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1C/C(=N/O)C(C)(C)C(O)C1
InChIInChI=1S/C11H19NO2/c1-7(2)8-5-9(12-14)11(3,4)10(13)6-8/h8,10,13-14H,1,5-6H2,2-4H3/b12-9-
InChIKeyDGNRPJZSZFUBKJ-XFXZXTDPSA-N
MW197.28 g/mol
LogP2.19
Rot. Bonds1

About (3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol

(3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 134933148) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID134933148
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1C/C(=N/O)C(C)(C)C(O)C1
InChIInChI=1S/C11H19NO2/c1-7(2)8-5-9(12-14)11(3,4)10(13)6-8/h8,10,13-14H,1,5-6H2,2-4H3/b12-9-
InChIKeyDGNRPJZSZFUBKJ-XFXZXTDPSA-N
XLogP2.19
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl-[(1S,2Z,4R)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]azanium
CID 7241891
2-ethenyl-3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 130151825
3-hydroxyimino-2,2-dimethylcyclopentan-1-ol
CID 86707700
(1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol
CID 124637804
(1S,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
CID 86310295
(1S,4S,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-one
CID 102385862
cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol
CID 130741612
(2R,3S,5S)-2-chloro-2,3-dimethyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 158141437
8,8-dimethyl-4,6-bis(prop-1-en-2-yl)bicyclo[5.1.0]octan-2-one
CID 91749847
(4aR,6R,8R,8aR)-8-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 24786662
1-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 155018164
1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol
CID 162884446

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol (CID 134933148) is (3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)C1C/C(=N/O)C(C)(C)C(O)C1.
What is the InChIKey of (3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is DGNRPJZSZFUBKJ-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)8-5-9(12-14)11(3,4)10(13)6-8/h8,10,13-14H,1,5-6H2,2-4H3/b12-9-.
What are the key properties of (3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol?
(3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 134933148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).