carbonic acid;tetradec-7-yne

C16H30O6 — CID 90353944

IUPACcarbonic acid;tetradec-7-yne
SMILESCCCCCCC#CCCCCCC.O=C(O)O.O=C(O)O
InChIInChI=1S/C14H26.2CH2O3/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;2*2-1(3)4/h3-12H2,1-2H3;2*(H2,2,3,4)
InChIKeyHYVBEJJMDGKQSM-UHFFFAOYSA-N
MW318.41 g/mol
LogP5.38
Rot. Bonds8

About carbonic acid;tetradec-7-yne

carbonic acid;tetradec-7-yne (PubChem CID 90353944) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is carbonic acid;tetradec-7-yne.

Molecular Properties

Compound Namecarbonic acid;tetradec-7-yne
PubChem CID90353944
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Namecarbonic acid;tetradec-7-yne
SMILESCCCCCCC#CCCCCCC.O=C(O)O.O=C(O)O
InChIInChI=1S/C14H26.2CH2O3/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;2*2-1(3)4/h3-12H2,1-2H3;2*(H2,2,3,4)
InChIKeyHYVBEJJMDGKQSM-UHFFFAOYSA-N
XLogP5.38
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.41
LogP ≤ 55.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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;non-3-yne
CID 87169900
dotriacont-13-ynoic acid
CID 16654690
docosa-7,15-diynoic acid
CID 87546312
octadeca-4,8-diynoic acid
CID 5312650
pentacos-6-ynoic acid
CID 71542375
hexadec-5-ynoic acid
CID 15958429
henicos-8-yne
CID 22224321
icosa-3,7-diynoic acid
CID 164519599
heptadec-2-ynoic acid
CID 22600366
dodec-6-ynoic acid
CID 5312609
octadeca-4,7-diynoic acid
CID 5312649
dodec-1-yn-1-ol
CID 23002297

Frequently Asked Questions

What is the IUPAC name of carbonic acid;tetradec-7-yne?
The IUPAC name of carbonic acid;tetradec-7-yne (CID 90353944) is carbonic acid;tetradec-7-yne.
What is the SMILES notation for carbonic acid;tetradec-7-yne?
The canonical SMILES for carbonic acid;tetradec-7-yne is CCCCCCC#CCCCCCC.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;tetradec-7-yne?
The InChIKey is HYVBEJJMDGKQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.2CH2O3/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;2*2-1(3)4/h3-12H2,1-2H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;tetradec-7-yne?
carbonic acid;tetradec-7-yne has a molecular weight of 318.41 g/mol, XLogP of 5.38, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;tetradec-7-yne is sourced from PubChem (CID 90353944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).