carbonic acid;non-3-yne

C10H18O3 — CID 87169900

IUPACcarbonic acid;non-3-yne
SMILESCCC#CCCCCC.O=C(O)O
InChIInChI=1S/C9H16.CH2O3/c1-3-5-7-9-8-6-4-2;2-1(3)4/h3-5,7,9H2,1-2H3;(H2,2,3,4)
InChIKeyXFEGKPILURPGLO-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.20
Rot. Bonds3

About carbonic acid;non-3-yne

carbonic acid;non-3-yne (PubChem CID 87169900) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is carbonic acid;non-3-yne.

Molecular Properties

Compound Namecarbonic acid;non-3-yne
PubChem CID87169900
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecarbonic acid;non-3-yne
SMILESCCC#CCCCCC.O=C(O)O
InChIInChI=1S/C9H16.CH2O3/c1-3-5-7-9-8-6-4-2;2-1(3)4/h3-5,7,9H2,1-2H3;(H2,2,3,4)
InChIKeyXFEGKPILURPGLO-UHFFFAOYSA-N
XLogP3.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;tetradec-7-yne
CID 90353944
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
dodec-6-ynoic acid
CID 5312609
octadeca-4,8-diynoic acid
CID 5312650
docosa-7,15-diynoic acid
CID 87546312
dotriacont-13-ynoic acid
CID 16654690
pentacos-6-ynoic acid
CID 71542375
hexadec-5-ynoic acid
CID 15958429
methane;bis(oct-3-yne)
CID 159540057
henicos-8-yne
CID 22224321
icosa-3,7-diynoic acid
CID 164519599

Frequently Asked Questions

What is the IUPAC name of carbonic acid;non-3-yne?
The IUPAC name of carbonic acid;non-3-yne (CID 87169900) is carbonic acid;non-3-yne.
What is the SMILES notation for carbonic acid;non-3-yne?
The canonical SMILES for carbonic acid;non-3-yne is CCC#CCCCCC.O=C(O)O.
What is the InChIKey of carbonic acid;non-3-yne?
The InChIKey is XFEGKPILURPGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.CH2O3/c1-3-5-7-9-8-6-4-2;2-1(3)4/h3-5,7,9H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;non-3-yne?
carbonic acid;non-3-yne has a molecular weight of 186.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;non-3-yne is sourced from PubChem (CID 87169900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).