dec-1-ene;dec-9-enoic acid

C20H38O2 — CID 87497067

IUPACdec-1-ene;dec-9-enoic acid
SMILESC=CCCCCCCCC.C=CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O2.C10H20/c1-2-3-4-5-6-7-8-9-10(11)12;1-3-5-7-9-10-8-6-4-2/h2H,1,3-9H2,(H,11,12);3H,1,4-10H2,2H3
InChIKeyLCVFZVCYRFDTPN-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.91
Rot. Bonds15

About dec-1-ene;dec-9-enoic acid

dec-1-ene;dec-9-enoic acid (PubChem CID 87497067) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is dec-1-ene;dec-9-enoic acid.

Molecular Properties

Compound Namedec-1-ene;dec-9-enoic acid
PubChem CID87497067
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Namedec-1-ene;dec-9-enoic acid
SMILESC=CCCCCCCCC.C=CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O2.C10H20/c1-2-3-4-5-6-7-8-9-10(11)12;1-3-5-7-9-10-8-6-4-2/h2H,1,3-9H2,(H,11,12);3H,1,4-10H2,2H3
InChIKeyLCVFZVCYRFDTPN-UHFFFAOYSA-N
XLogP6.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbon dioxide;dodecanoic acid;undec-1-ene
CID 169429904
azane;bis(barium(2+));hydride;bis(octadecanoic acid);undec-10-enoic acid
CID 173307096
heptanal;undec-10-enoic acid
CID 118865645
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enoic acid
CID 543857
octadec-17-enoic acid
CID 5312444
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
pentadec-14-en-7-one
CID 11528685
formaldehyde;octadec-9-enoic acid
CID 159210703
tricos-1-en-11-one
CID 146680996
pentacos-1-en-11-one
CID 21420755
acetic acid;oct-1-ene
CID 159976970

Frequently Asked Questions

What is the IUPAC name of dec-1-ene;dec-9-enoic acid?
The IUPAC name of dec-1-ene;dec-9-enoic acid (CID 87497067) is dec-1-ene;dec-9-enoic acid.
What is the SMILES notation for dec-1-ene;dec-9-enoic acid?
The canonical SMILES for dec-1-ene;dec-9-enoic acid is C=CCCCCCCCC.C=CCCCCCCCC(=O)O.
What is the InChIKey of dec-1-ene;dec-9-enoic acid?
The InChIKey is LCVFZVCYRFDTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.C10H20/c1-2-3-4-5-6-7-8-9-10(11)12;1-3-5-7-9-10-8-6-4-2/h2H,1,3-9H2,(H,11,12);3H,1,4-10H2,2H3.
What are the key properties of dec-1-ene;dec-9-enoic acid?
dec-1-ene;dec-9-enoic acid has a molecular weight of 310.52 g/mol, XLogP of 6.91, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-ene;dec-9-enoic acid is sourced from PubChem (CID 87497067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).