(7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene

C15H26O — CID 67956187

IUPAC(7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
SMILESCCCC1CCC2C/C(=C\OC)CCC2C1
InChIInChI=1S/C15H26O/c1-3-4-12-5-7-15-10-13(11-16-2)6-8-14(15)9-12/h11-12,14-15H,3-10H2,1-2H3/b13-11-
InChIKeyZVKNMVVYPXXIQZ-QBFSEMIESA-N
MW222.37 g/mol
LogP4.53
Rot. Bonds3

About (7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene

(7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene (PubChem CID 67956187) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene.

Molecular Properties

Compound Name(7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
PubChem CID67956187
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
SMILESCCCC1CCC2C/C(=C\OC)CCC2C1
InChIInChI=1S/C15H26O/c1-3-4-12-5-7-15-10-13(11-16-2)6-8-14(15)9-12/h11-12,14-15H,3-10H2,1-2H3/b13-11-
InChIKeyZVKNMVVYPXXIQZ-QBFSEMIESA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.53
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 (7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The IUPAC name of (7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene (CID 67956187) is (7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene.
What is the SMILES notation for (7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The canonical SMILES for (7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene is CCCC1CCC2C/C(=C\OC)CCC2C1.
What is the InChIKey of (7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The InChIKey is ZVKNMVVYPXXIQZ-QBFSEMIESA-N. The full InChI is InChI=1S/C15H26O/c1-3-4-12-5-7-15-10-13(11-16-2)6-8-14(15)9-12/h11-12,14-15H,3-10H2,1-2H3/b13-11-.
What are the key properties of (7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
(7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene has a molecular weight of 222.37 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-(methoxymethylidene)-3-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene is sourced from PubChem (CID 67956187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).