CID 101062384

C20H32O4 — CID 101062384

IUPAC—
SMILESC[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CCC1(C=COC1)O2
InChIInChI=1S/C20H32O4/c1-14-11-15(22)16-17(2,12-21)5-4-6-18(16,3)20(14)8-7-19(24-20)9-10-23-13-19/h9-10,14-16,21-22H,4-8,11-13H2,1-3H3/t14-,15-,16+,17-,18+,19?,20-/m1/s1
InChIKeyUFGOIVNQFWJKPR-CDQIMUCNSA-N
MW336.47 g/mol
LogP3.02
Rot. Bonds1

About CID 101062384

CID 101062384 (PubChem CID 101062384) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol.

Molecular Properties

Compound NameCID 101062384
PubChem CID101062384
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name—
SMILESC[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CCC1(C=COC1)O2
InChIInChI=1S/C20H32O4/c1-14-11-15(22)16-17(2,12-21)5-4-6-18(16,3)20(14)8-7-19(24-20)9-10-23-13-19/h9-10,14-16,21-22H,4-8,11-13H2,1-3H3/t14-,15-,16+,17-,18+,19?,20-/m1/s1
InChIKeyUFGOIVNQFWJKPR-CDQIMUCNSA-N
XLogP3.02
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 162964843
5'-(2-hydroxyethyl)-5'-(hydroxymethyl)-3,4a,8,8-tetramethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-ol
CID 162992918
2-[2',4-bis(hydroxymethyl)-4,7,8a-trimethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]ethanol
CID 3716021
CID 163009634
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CID 162888514
(1S,4aS,5S,6S,8S,8aS)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,4a,6-trimethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CID 98570949
(1,2-dimethylcyclopentyl)methanol
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[(1S,2R)-1,2-dimethylcyclopentyl]methanol
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(1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 98050236
(1R,2S,3S,5S,7R,8S,9R,10S,11R,12R)-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-3,7,9,10-tetrol
CID 44557786
(1R,4R,4aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
CID 11368827

Frequently Asked Questions

What is the IUPAC name of CID 101062384?
The IUPAC name of CID 101062384 (CID 101062384) is not available.
What is the SMILES notation for CID 101062384?
The canonical SMILES for CID 101062384 is C[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CCC1(C=COC1)O2.
What is the InChIKey of CID 101062384?
The InChIKey is UFGOIVNQFWJKPR-CDQIMUCNSA-N. The full InChI is InChI=1S/C20H32O4/c1-14-11-15(22)16-17(2,12-21)5-4-6-18(16,3)20(14)8-7-19(24-20)9-10-23-13-19/h9-10,14-16,21-22H,4-8,11-13H2,1-3H3/t14-,15-,16+,17-,18+,19?,20-/m1/s1.
What are the key properties of CID 101062384?
CID 101062384 has a molecular weight of 336.47 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101062384 is sourced from PubChem (CID 101062384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).