CID 162412663

C16H26O5 — CID 162412663

IUPAC—
SMILESOCCCC[C@H]1CC2(OCCO2)[C@@H]2CCC3(OCCO3)[C@H]12
InChIInChI=1S/C16H26O5/c17-6-2-1-3-12-11-16(20-9-10-21-16)13-4-5-15(14(12)13)18-7-8-19-15/h12-14,17H,1-11H2/t12-,13+,14+/m0/s1
InChIKeyAUDKRBCSIKPEIZ-BFHYXJOUSA-N
MW298.38 g/mol
LogP1.68
Rot. Bonds4

About CID 162412663

CID 162412663 (PubChem CID 162412663) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol.

Molecular Properties

Compound NameCID 162412663
PubChem CID162412663
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name—
SMILESOCCCC[C@H]1CC2(OCCO2)[C@@H]2CCC3(OCCO3)[C@H]12
InChIInChI=1S/C16H26O5/c17-6-2-1-3-12-11-16(20-9-10-21-16)13-4-5-15(14(12)13)18-7-8-19-15/h12-14,17H,1-11H2/t12-,13+,14+/m0/s1
InChIKeyAUDKRBCSIKPEIZ-BFHYXJOUSA-N
XLogP1.68
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1'R,2'S,3'aS,6'aS)-spiro[1,3-dioxolane-2,4'-2,3,3a,5,6,6a-hexahydro-1H-pentalene]-1',2'-diol
CID 90682014
(3aS,3bR,6aS,7S,7aS)-3a,5,5-trimethylspiro[1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-7-ol
CID 13967840
CID 135040833
CID 135040833
(4aR,5aS,8aR,8bR)-spiro[1,2,4,4a,5,5a,7,8,8a,8b-decahydropentaleno[2,1-c]pyran-6,2'-1,3-dioxolane]-2-ol
CID 162410989
[(2'R,3'S,3'aS,6'aS)-3'-hydroxyspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]-2'-yl]methyl acetate
CID 162411278
(R)-1-((3aR,5R,6R,6aR)-3a-(2-hydroxyethyl)-5,6-dimethylhexahydro-2H-spiro[pentalene-1,2'-[1,3]dioxolan]-6-yl)pent-3-yn-1-ol
CID 164889759
(R)-1-((3aR,5R,6R,6aR)-3a-((S)-1-hydroxypropan-2-yl)-5,6-dimethylhexahydro-2H-spiro[pentalene-1,2'-[1,3]dioxolan]-6-yl)pent-3-yn-1-ol
CID 164889850
6-Hydroxymethyl-1-methoxy-2-oxatricyclo(5.2.1.0(4,10))decane
CID 101621277
(1'S,2'S,3'aS,6'aR)-1'-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 130763756
spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol
CID 14429286
spiro[1,3-dioxolane-2,4'-2,3,3a,5,6,6a-hexahydro-1H-pentalene]-1'-ol
CID 18682719
2'-(3-Cyclopentyl-3-hydroxypropyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
CID 20259406

Frequently Asked Questions

What is the IUPAC name of CID 162412663?
The IUPAC name of CID 162412663 (CID 162412663) is not available.
What is the SMILES notation for CID 162412663?
The canonical SMILES for CID 162412663 is OCCCC[C@H]1CC2(OCCO2)[C@@H]2CCC3(OCCO3)[C@H]12.
What is the InChIKey of CID 162412663?
The InChIKey is AUDKRBCSIKPEIZ-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H26O5/c17-6-2-1-3-12-11-16(20-9-10-21-16)13-4-5-15(14(12)13)18-7-8-19-15/h12-14,17H,1-11H2/t12-,13+,14+/m0/s1.
What are the key properties of CID 162412663?
CID 162412663 has a molecular weight of 298.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162412663 is sourced from PubChem (CID 162412663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).