[(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol

C14H24O3 — CID 10776444

IUPAC[(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol
SMILESCCCCC/C=C\C/C=C\[C@@H]1OCO[C@H]1CO
InChIInChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-13-14(11-15)17-12-16-13/h6-7,9-10,13-15H,2-5,8,11-12H2,1H3/b7-6-,10-9-/t13-,14-/m0/s1
InChIKeyQYOZHGJFERSPMI-NVHZEWLOSA-N
MW240.34 g/mol
LogP2.80
Rot. Bonds8

About [(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol

[(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol (PubChem CID 10776444) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is [(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol
PubChem CID10776444
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name[(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol
SMILESCCCCC/C=C\C/C=C\[C@@H]1OCO[C@H]1CO
InChIInChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-13-14(11-15)17-12-16-13/h6-7,9-10,13-15H,2-5,8,11-12H2,1H3/b7-6-,10-9-/t13-,14-/m0/s1
InChIKeyQYOZHGJFERSPMI-NVHZEWLOSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3aS,4R,6aR)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta[d][1,3]dioxol-4-ol
CID 10953760
1,3-Dioxolane-4-methanol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-
CID 110693
Citral glyceryl acetal, (E)-
CID 6437578
2H-Pyran-2-methanol, 3,6-dihydro-3-hydroxy-6-(1-methylethoxy)-
CID 546113
(3aS,4R,5S,7aR)-5-methoxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 10608081
(3aS,4R,5R,7aR)-2,2-Dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxole-4,5-diol
CID 10679109
(3aS,4R,5S,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
CID 10997742
[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 11788550
(3aS,4S,5S,7aR)-5-fluoro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 21626178
Pentenyl-1,3-dioxolane-4-methanol, (E)-
CID 69669515
[2-(Pent-1-en-1-yl)-1,3-dioxolan-4-yl]methanol
CID 69669516
1,3-Dioxolane-4-methanol, 2-((1Z)-2,6-dimethyl-1,5-heptadienyl)-
CID 71587781

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol (CID 10776444) is [(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol is CCCCC/C=C\C/C=C\[C@@H]1OCO[C@H]1CO.
What is the InChIKey of [(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol?
The InChIKey is QYOZHGJFERSPMI-NVHZEWLOSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-13-14(11-15)17-12-16-13/h6-7,9-10,13-15H,2-5,8,11-12H2,1H3/b7-6-,10-9-/t13-,14-/m0/s1.
What are the key properties of [(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol?
[(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol has a molecular weight of 240.34 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 10776444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).