(1E)-3-methyl-1-propan-2-yloxycyclopentadecene

C19H36O — CID 68821401

IUPAC(1E)-3-methyl-1-propan-2-yloxycyclopentadecene
SMILESCC1/C=C(/OC(C)C)CCCCCCCCCCCC1
InChIInChI=1S/C19H36O/c1-17(2)20-19-15-13-11-9-7-5-4-6-8-10-12-14-18(3)16-19/h16-18H,4-15H2,1-3H3/b19-16+
InChIKeyWFQWIRKWMZLTIT-KNTRCKAVSA-N
MW280.50 g/mol
LogP6.63
Rot. Bonds2

About (1E)-3-methyl-1-propan-2-yloxycyclopentadecene

(1E)-3-methyl-1-propan-2-yloxycyclopentadecene (PubChem CID 68821401) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (1E)-3-methyl-1-propan-2-yloxycyclopentadecene.

Molecular Properties

Compound Name(1E)-3-methyl-1-propan-2-yloxycyclopentadecene
PubChem CID68821401
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(1E)-3-methyl-1-propan-2-yloxycyclopentadecene
SMILESCC1/C=C(/OC(C)C)CCCCCCCCCCCC1
InChIInChI=1S/C19H36O/c1-17(2)20-19-15-13-11-9-7-5-4-6-8-10-12-14-18(3)16-19/h16-18H,4-15H2,1-3H3/b19-16+
InChIKeyWFQWIRKWMZLTIT-KNTRCKAVSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1E)-3-methyl-1-propan-2-yloxycyclopentadecene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E)-3-methyl-1-propan-2-yloxycyclopentadecene?
The IUPAC name of (1E)-3-methyl-1-propan-2-yloxycyclopentadecene (CID 68821401) is (1E)-3-methyl-1-propan-2-yloxycyclopentadecene.
What is the SMILES notation for (1E)-3-methyl-1-propan-2-yloxycyclopentadecene?
The canonical SMILES for (1E)-3-methyl-1-propan-2-yloxycyclopentadecene is CC1/C=C(/OC(C)C)CCCCCCCCCCCC1.
What is the InChIKey of (1E)-3-methyl-1-propan-2-yloxycyclopentadecene?
The InChIKey is WFQWIRKWMZLTIT-KNTRCKAVSA-N. The full InChI is InChI=1S/C19H36O/c1-17(2)20-19-15-13-11-9-7-5-4-6-8-10-12-14-18(3)16-19/h16-18H,4-15H2,1-3H3/b19-16+.
What are the key properties of (1E)-3-methyl-1-propan-2-yloxycyclopentadecene?
(1E)-3-methyl-1-propan-2-yloxycyclopentadecene has a molecular weight of 280.50 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-methyl-1-propan-2-yloxycyclopentadecene is sourced from PubChem (CID 68821401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).