carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate

C11H22O5 — CID 174785668

IUPACcarbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
SMILESC=CC(C)(O)CCC=C(C)C.O.O=C(O)O
InChIInChI=1S/C10H18O.CH2O3.H2O/c1-5-10(4,11)8-6-7-9(2)3;2-1(3)4;/h5,7,11H,1,6,8H2,2-4H3;(H2,2,3,4);1H2
InChIKeyDVGBCSWMLMKCOY-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.07
Rot. Bonds4

About carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate

carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate (PubChem CID 174785668) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate.

Molecular Properties

Compound Namecarbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
PubChem CID174785668
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Namecarbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
SMILESC=CC(C)(O)CCC=C(C)C.O.O=C(O)O
InChIInChI=1S/C10H18O.CH2O3.H2O/c1-5-10(4,11)8-6-7-9(2)3;2-1(3)4;/h5,7,11H,1,6,8H2,2-4H3;(H2,2,3,4);1H2
InChIKeyDVGBCSWMLMKCOY-UHFFFAOYSA-N
XLogP2.07
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol
CID 174949943
(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide
CID 10397471
acetic acid;nonan-2-one;3,7,11-trimethyldodeca-1,6,10-trien-3-ol
CID 159991235
3,7-dimethylocta-1,6-dien-3-ol;hexyl acetate
CID 23346839
(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid
CID 11615793
1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
CID 160961058
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,14,34-pentaene-3,19,23,27,31-pentol
CID 73017728
(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
CID 38988672
3,7-dimethylocta-1,6-diene-1,3-diol;2,6-dimethyloct-7-ene-2,6-diol
CID 161231365
acetic acid;3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
CID 174957070
(6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one
CID 163027409

Frequently Asked Questions

What is the IUPAC name of carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate?
The IUPAC name of carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate (CID 174785668) is carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate.
What is the SMILES notation for carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate?
The canonical SMILES for carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate is C=CC(C)(O)CCC=C(C)C.O.O=C(O)O.
What is the InChIKey of carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate?
The InChIKey is DVGBCSWMLMKCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.CH2O3.H2O/c1-5-10(4,11)8-6-7-9(2)3;2-1(3)4;/h5,7,11H,1,6,8H2,2-4H3;(H2,2,3,4);1H2.
What are the key properties of carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate?
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate has a molecular weight of 234.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate is sourced from PubChem (CID 174785668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).