hexadec-9-enoic acid;λ2-stannane

C16H32O2Sn — CID 173268031

IUPAChexadec-9-enoic acid;λ2-stannane
SMILESCCCCCCC=CCCCCCCCC(=O)O.[SnH2]
InChIInChI=1S/C16H30O2.Sn.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;/h7-8H,2-6,9-15H2,1H3,(H,17,18);;;
InChIKeyUGDBJUJCYJFPTA-UHFFFAOYSA-N
MW375.14 g/mol
LogP4.41
Rot. Bonds13

About hexadec-9-enoic acid;λ2-stannane

hexadec-9-enoic acid;λ2-stannane (PubChem CID 173268031) has the molecular formula C16H32O2Sn and a molecular weight of 375.14 g/mol. Its IUPAC name is hexadec-9-enoic acid;λ2-stannane.

Molecular Properties

Compound Namehexadec-9-enoic acid;λ2-stannane
PubChem CID173268031
Molecular FormulaC16H32O2Sn
Molecular Weight375.14 g/mol
Exact Mass376.14
IUPAC Namehexadec-9-enoic acid;λ2-stannane
SMILESCCCCCCC=CCCCCCCCC(=O)O.[SnH2]
InChIInChI=1S/C16H30O2.Sn.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;/h7-8H,2-6,9-15H2,1H3,(H,17,18);;;
InChIKeyUGDBJUJCYJFPTA-UHFFFAOYSA-N
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.14
LogP ≤ 54.41
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

triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352
docosanoic acid;(Z)-icos-9-enoic acid
CID 159601642

Frequently Asked Questions

What is the IUPAC name of hexadec-9-enoic acid;λ2-stannane?
The IUPAC name of hexadec-9-enoic acid;λ2-stannane (CID 173268031) is hexadec-9-enoic acid;λ2-stannane.
What is the SMILES notation for hexadec-9-enoic acid;λ2-stannane?
The canonical SMILES for hexadec-9-enoic acid;λ2-stannane is CCCCCCC=CCCCCCCCC(=O)O.[SnH2].
What is the InChIKey of hexadec-9-enoic acid;λ2-stannane?
The InChIKey is UGDBJUJCYJFPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.Sn.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;/h7-8H,2-6,9-15H2,1H3,(H,17,18);;;.
What are the key properties of hexadec-9-enoic acid;λ2-stannane?
hexadec-9-enoic acid;λ2-stannane has a molecular weight of 375.14 g/mol, XLogP of 4.41, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-9-enoic acid;λ2-stannane is sourced from PubChem (CID 173268031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).