(3-methoxy-4-methylideneoctyl)benzene

C16H24O — CID 71375436

IUPAC(3-methoxy-4-methylideneoctyl)benzene
SMILESC=C(CCCC)C(CCc1ccccc1)OC
InChIInChI=1S/C16H24O/c1-4-5-9-14(2)16(17-3)13-12-15-10-7-6-8-11-15/h6-8,10-11,16H,2,4-5,9,12-13H2,1,3H3
InChIKeyHWTAJIYYAAHRMN-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.38
Rot. Bonds8

About (3-methoxy-4-methylideneoctyl)benzene

(3-methoxy-4-methylideneoctyl)benzene (PubChem CID 71375436) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (3-methoxy-4-methylideneoctyl)benzene.

Molecular Properties

Compound Name(3-methoxy-4-methylideneoctyl)benzene
PubChem CID71375436
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(3-methoxy-4-methylideneoctyl)benzene
SMILESC=C(CCCC)C(CCc1ccccc1)OC
InChIInChI=1S/C16H24O/c1-4-5-9-14(2)16(17-3)13-12-15-10-7-6-8-11-15/h6-8,10-11,16H,2,4-5,9,12-13H2,1,3H3
InChIKeyHWTAJIYYAAHRMN-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3-methoxy-4-methylideneoctyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-1-phenylheptan-3-one
CID 116708295
1-phenylnonane-3,5-dione
CID 14763643
1-phenylheptan-3-ol
CID 10420110
5-methoxy-1-phenylheptan-4-one
CID 116707095
(3-methylidene-1-phenyloctan-4-yl) 4-methylbenzenesulfonate
CID 59861636
methyl 3-oxo-2-(2-phenylethyl)octanoate
CID 18370999
[4-(difluoromethylidene)-1-phenylnonan-3-yl] acetate
CID 11130694
tert-butyl-dimethyl-[(Z)-4-methylidene-1-phenyldec-5-en-3-yl]oxysilane
CID 11199157
3-hydroxy-1-phenylnonan-4-one
CID 135039078
1-phenylheptan-3-yl hydrogen carbonate
CID 67177512
butylbenzene;hydroxylamine
CID 175142403
hexylbenzene;hydrogen peroxide
CID 90001206

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylideneoctyl)benzene?
The IUPAC name of (3-methoxy-4-methylideneoctyl)benzene (CID 71375436) is (3-methoxy-4-methylideneoctyl)benzene.
What is the SMILES notation for (3-methoxy-4-methylideneoctyl)benzene?
The canonical SMILES for (3-methoxy-4-methylideneoctyl)benzene is C=C(CCCC)C(CCc1ccccc1)OC.
What is the InChIKey of (3-methoxy-4-methylideneoctyl)benzene?
The InChIKey is HWTAJIYYAAHRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-4-5-9-14(2)16(17-3)13-12-15-10-7-6-8-11-15/h6-8,10-11,16H,2,4-5,9,12-13H2,1,3H3.
What are the key properties of (3-methoxy-4-methylideneoctyl)benzene?
(3-methoxy-4-methylideneoctyl)benzene has a molecular weight of 232.37 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylideneoctyl)benzene is sourced from PubChem (CID 71375436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).