carbonic acid;decane-1,10-diol

C11H24O5 — CID 174976292

IUPACcarbonic acid;decane-1,10-diol
SMILESO=C(O)O.OCCCCCCCCCCO
InChIInChI=1S/C10H22O2.CH2O3/c11-9-7-5-3-1-2-4-6-8-10-12;2-1(3)4/h11-12H,1-10H2;(H2,2,3,4)
InChIKeyLPIPUBYYUWYMNL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.31
Rot. Bonds9

About carbonic acid;decane-1,10-diol

carbonic acid;decane-1,10-diol (PubChem CID 174976292) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is carbonic acid;decane-1,10-diol.

Molecular Properties

Compound Namecarbonic acid;decane-1,10-diol
PubChem CID174976292
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Namecarbonic acid;decane-1,10-diol
SMILESO=C(O)O.OCCCCCCCCCCO
InChIInChI=1S/C10H22O2.CH2O3/c11-9-7-5-3-1-2-4-6-8-10-12;2-1(3)4/h11-12H,1-10H2;(H2,2,3,4)
InChIKeyLPIPUBYYUWYMNL-UHFFFAOYSA-N
XLogP2.31
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;decane-1,10-diol?
The IUPAC name of carbonic acid;decane-1,10-diol (CID 174976292) is carbonic acid;decane-1,10-diol.
What is the SMILES notation for carbonic acid;decane-1,10-diol?
The canonical SMILES for carbonic acid;decane-1,10-diol is O=C(O)O.OCCCCCCCCCCO.
What is the InChIKey of carbonic acid;decane-1,10-diol?
The InChIKey is LPIPUBYYUWYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.CH2O3/c11-9-7-5-3-1-2-4-6-8-10-12;2-1(3)4/h11-12H,1-10H2;(H2,2,3,4).
What are the key properties of carbonic acid;decane-1,10-diol?
carbonic acid;decane-1,10-diol has a molecular weight of 236.31 g/mol, XLogP of 2.31, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;decane-1,10-diol is sourced from PubChem (CID 174976292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).