(3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane

C13H24O — CID 177406107

IUPAC(3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane
SMILESCO/C=C1/CC(C)(C)CCC1C(C)C
InChIInChI=1S/C13H24O/c1-10(2)12-6-7-13(3,4)8-11(12)9-14-5/h9-10,12H,6-8H2,1-5H3/b11-9-
InChIKeyNJRIFCISSVUWNW-LUAWRHEFSA-N
MW196.33 g/mol
LogP4.00
Rot. Bonds2

About (3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane

(3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane (PubChem CID 177406107) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane
PubChem CID177406107
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane
SMILESCO/C=C1/CC(C)(C)CCC1C(C)C
InChIInChI=1S/C13H24O/c1-10(2)12-6-7-13(3,4)8-11(12)9-14-5/h9-10,12H,6-8H2,1-5H3/b11-9-
InChIKeyNJRIFCISSVUWNW-LUAWRHEFSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane?
The IUPAC name of (3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane (CID 177406107) is (3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for (3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane?
The canonical SMILES for (3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane is CO/C=C1/CC(C)(C)CCC1C(C)C.
What is the InChIKey of (3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane?
The InChIKey is NJRIFCISSVUWNW-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H24O/c1-10(2)12-6-7-13(3,4)8-11(12)9-14-5/h9-10,12H,6-8H2,1-5H3/b11-9-.
What are the key properties of (3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane?
(3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane has a molecular weight of 196.33 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 177406107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).