carbonic acid;1-pentoxypentane-1,1-diol

C11H24O6 — CID 89387830

IUPACcarbonic acid;1-pentoxypentane-1,1-diol
SMILESCCCCCOC(O)(O)CCCC.O=C(O)O
InChIInChI=1S/C10H22O3.CH2O3/c1-3-5-7-9-13-10(11,12)8-6-4-2;2-1(3)4/h11-12H,3-9H2,1-2H3;(H2,2,3,4)
InChIKeyQZMDFULJBDBYEW-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.24
Rot. Bonds8

About carbonic acid;1-pentoxypentane-1,1-diol

carbonic acid;1-pentoxypentane-1,1-diol (PubChem CID 89387830) has the molecular formula C11H24O6 and a molecular weight of 252.31 g/mol. Its IUPAC name is carbonic acid;1-pentoxypentane-1,1-diol.

Molecular Properties

Compound Namecarbonic acid;1-pentoxypentane-1,1-diol
PubChem CID89387830
Molecular FormulaC11H24O6
Molecular Weight252.31 g/mol
Exact Mass252.16
IUPAC Namecarbonic acid;1-pentoxypentane-1,1-diol
SMILESCCCCCOC(O)(O)CCCC.O=C(O)O
InChIInChI=1S/C10H22O3.CH2O3/c1-3-5-7-9-13-10(11,12)8-6-4-2;2-1(3)4/h11-12H,3-9H2,1-2H3;(H2,2,3,4)
InChIKeyQZMDFULJBDBYEW-UHFFFAOYSA-N
XLogP2.24
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2-dodecoxy-2-methyltetradecanoic acid
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carbonic acid;bis(hexane)
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2-decoxy-2-ethylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-pentoxypentane-1,1-diol?
The IUPAC name of carbonic acid;1-pentoxypentane-1,1-diol (CID 89387830) is carbonic acid;1-pentoxypentane-1,1-diol.
What is the SMILES notation for carbonic acid;1-pentoxypentane-1,1-diol?
The canonical SMILES for carbonic acid;1-pentoxypentane-1,1-diol is CCCCCOC(O)(O)CCCC.O=C(O)O.
What is the InChIKey of carbonic acid;1-pentoxypentane-1,1-diol?
The InChIKey is QZMDFULJBDBYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3.CH2O3/c1-3-5-7-9-13-10(11,12)8-6-4-2;2-1(3)4/h11-12H,3-9H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-pentoxypentane-1,1-diol?
carbonic acid;1-pentoxypentane-1,1-diol has a molecular weight of 252.31 g/mol, XLogP of 2.24, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-pentoxypentane-1,1-diol is sourced from PubChem (CID 89387830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).