CID 10494452

C15H24O6 — CID 10494452

IUPAC—
SMILESCC1(C)OC[C@]2(OC[C@H]3OC4(CCCCC4)O[C@H]3[C@@H]2O)O1
InChIInChI=1S/C15H24O6/c1-13(2)18-9-15(21-13)12(16)11-10(8-17-15)19-14(20-11)6-4-3-5-7-14/h10-12,16H,3-9H2,1-2H3/t10-,11-,12+,15+/m1/s1
InChIKeyPMCULVOBFUFBMF-FJJYHAOUSA-N
MW300.35 g/mol
LogP1.30
Rot. Bonds

About CID 10494452

CID 10494452 (PubChem CID 10494452) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol.

Molecular Properties

Compound NameCID 10494452
PubChem CID10494452
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name—
SMILESCC1(C)OC[C@]2(OC[C@H]3OC4(CCCCC4)O[C@H]3[C@@H]2O)O1
InChIInChI=1S/C15H24O6/c1-13(2)18-9-15(21-13)12(16)11-10(8-17-15)19-14(20-11)6-4-3-5-7-14/h10-12,16H,3-9H2,1-2H3/t10-,11-,12+,15+/m1/s1
InChIKeyPMCULVOBFUFBMF-FJJYHAOUSA-N
XLogP1.30
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3'aS,4R,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101246367
(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 12719660
(3'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 11118797
2,2-dimethyl-2'-propan-2-ylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 22081778
(3aS,4R,6R,6aS)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ol
CID 57337795
(3aS,4R,6S,6aR)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ol
CID 7064562
(3aR,4R,6aR)-4-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]
CID 154535606
(3'aS,4R,7'R,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101152992
CID 162264970
CID 162264970
CID 131971311
CID 131971311
(3aS,4R,5R,6R,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6-triol
CID 102213371
(5S,6S,7R,8R)-2,2-dimethyl-7-tris(trimethylsilyl)silyloxy-1,3,10-trioxaspiro[4.5]decane-6,8-diol
CID 101410633

Frequently Asked Questions

What is the IUPAC name of CID 10494452?
The IUPAC name of CID 10494452 (CID 10494452) is not available.
What is the SMILES notation for CID 10494452?
The canonical SMILES for CID 10494452 is CC1(C)OC[C@]2(OC[C@H]3OC4(CCCCC4)O[C@H]3[C@@H]2O)O1.
What is the InChIKey of CID 10494452?
The InChIKey is PMCULVOBFUFBMF-FJJYHAOUSA-N. The full InChI is InChI=1S/C15H24O6/c1-13(2)18-9-15(21-13)12(16)11-10(8-17-15)19-14(20-11)6-4-3-5-7-14/h10-12,16H,3-9H2,1-2H3/t10-,11-,12+,15+/m1/s1.
What are the key properties of CID 10494452?
CID 10494452 has a molecular weight of 300.35 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10494452 is sourced from PubChem (CID 10494452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).