8-heptoxy-2-methyloct-1-ene

C16H32O — CID 59205550

IUPAC8-heptoxy-2-methyloct-1-ene
SMILESC=C(C)CCCCCCOCCCCCCC
InChIInChI=1S/C16H32O/c1-4-5-6-8-11-14-17-15-12-9-7-10-13-16(2)3/h2,4-15H2,1,3H3
InChIKeyYPVKFSNFYWCBLH-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.50
Rot. Bonds13

About 8-heptoxy-2-methyloct-1-ene

8-heptoxy-2-methyloct-1-ene (PubChem CID 59205550) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 8-heptoxy-2-methyloct-1-ene.

Molecular Properties

Compound Name8-heptoxy-2-methyloct-1-ene
PubChem CID59205550
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name8-heptoxy-2-methyloct-1-ene
SMILESC=C(C)CCCCCCOCCCCCCC
InChIInChI=1S/C16H32O/c1-4-5-6-8-11-14-17-15-12-9-7-10-13-16(2)3/h2,4-15H2,1,3H3
InChIKeyYPVKFSNFYWCBLH-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-heptoxy-2-methyloct-1-ene 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

1-(8-methylnon-8-enoxy)dodecane
CID 10520052
2-methyltetradec-1-ene
CID 521375
ethane;2-methyloct-1-ene
CID 143077596
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;2-methylhept-1-ene
CID 143682307
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
7-hexoxyheptan-2-one
CID 122428493
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180

Frequently Asked Questions

What is the IUPAC name of 8-heptoxy-2-methyloct-1-ene?
The IUPAC name of 8-heptoxy-2-methyloct-1-ene (CID 59205550) is 8-heptoxy-2-methyloct-1-ene.
What is the SMILES notation for 8-heptoxy-2-methyloct-1-ene?
The canonical SMILES for 8-heptoxy-2-methyloct-1-ene is C=C(C)CCCCCCOCCCCCCC.
What is the InChIKey of 8-heptoxy-2-methyloct-1-ene?
The InChIKey is YPVKFSNFYWCBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-4-5-6-8-11-14-17-15-12-9-7-10-13-16(2)3/h2,4-15H2,1,3H3.
What are the key properties of 8-heptoxy-2-methyloct-1-ene?
8-heptoxy-2-methyloct-1-ene has a molecular weight of 240.43 g/mol, XLogP of 5.50, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-heptoxy-2-methyloct-1-ene is sourced from PubChem (CID 59205550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).