(3Z)-3-(methoxymethylidene)heptane

C9H18O — CID 134987787

IUPAC(3Z)-3-(methoxymethylidene)heptane
SMILESCCCC/C(=C\OC)CC
InChIInChI=1S/C9H18O/c1-4-6-7-9(5-2)8-10-3/h8H,4-7H2,1-3H3/b9-8-
InChIKeyRHYDEHLDDYJULP-HJWRWDBZSA-N
MW142.24 g/mol
LogP3.12
Rot. Bonds5

About (3Z)-3-(methoxymethylidene)heptane

(3Z)-3-(methoxymethylidene)heptane (PubChem CID 134987787) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3Z)-3-(methoxymethylidene)heptane.

Molecular Properties

Compound Name(3Z)-3-(methoxymethylidene)heptane
PubChem CID134987787
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3Z)-3-(methoxymethylidene)heptane
SMILESCCCC/C(=C\OC)CC
InChIInChI=1S/C9H18O/c1-4-6-7-9(5-2)8-10-3/h8H,4-7H2,1-3H3/b9-8-
InChIKeyRHYDEHLDDYJULP-HJWRWDBZSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 53.12
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)heptane?
The IUPAC name of (3Z)-3-(methoxymethylidene)heptane (CID 134987787) is (3Z)-3-(methoxymethylidene)heptane.
What is the SMILES notation for (3Z)-3-(methoxymethylidene)heptane?
The canonical SMILES for (3Z)-3-(methoxymethylidene)heptane is CCCC/C(=C\OC)CC.
What is the InChIKey of (3Z)-3-(methoxymethylidene)heptane?
The InChIKey is RHYDEHLDDYJULP-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H18O/c1-4-6-7-9(5-2)8-10-3/h8H,4-7H2,1-3H3/b9-8-.
What are the key properties of (3Z)-3-(methoxymethylidene)heptane?
(3Z)-3-(methoxymethylidene)heptane has a molecular weight of 142.24 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(methoxymethylidene)heptane is sourced from PubChem (CID 134987787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).