1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol

C20H38O5 — CID 123557394

IUPAC1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol
SMILESC=CCCCCCCCCCC1C(C)C1(O)OC(CO)C(OC)OC
InChIInChI=1S/C20H38O5/c1-5-6-7-8-9-10-11-12-13-14-17-16(2)20(17,22)25-18(15-21)19(23-3)24-4/h5,16-19,21-22H,1,6-15H2,2-4H3
InChIKeyWYJYVKNMXFMUET-UHFFFAOYSA-N
MW358.52 g/mol
LogP3.63
Rot. Bonds16

About 1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol

1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol (PubChem CID 123557394) has the molecular formula C20H38O5 and a molecular weight of 358.52 g/mol. Its IUPAC name is 1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol
PubChem CID123557394
Molecular FormulaC20H38O5
Molecular Weight358.52 g/mol
Exact Mass358.27
IUPAC Name1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol
SMILESC=CCCCCCCCCCC1C(C)C1(O)OC(CO)C(OC)OC
InChIInChI=1S/C20H38O5/c1-5-6-7-8-9-10-11-12-13-14-17-16(2)20(17,22)25-18(15-21)19(23-3)24-4/h5,16-19,21-22H,1,6-15H2,2-4H3
InChIKeyWYJYVKNMXFMUET-UHFFFAOYSA-N
XLogP3.63
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol
CID 102123336
methoxymethane;tridec-12-en-1-ol
CID 87674016
2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol
CID 89467401
1,1-dimethoxynon-8-en-2-amine
CID 107009425
2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol
CID 158717952
octadec-1-ene;propane-1,2,3-triol
CID 87523216
(1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane
CID 135084042
1-hept-6-enyl-2-methylcyclopropane
CID 173435443
trans-(1R,2R)-1-methyl-2-pent-4-enylcyclopropan-1-ol
CID 68751280
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
2-dec-9-enylpropane-1,3-diol
CID 135271441

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol?
The IUPAC name of 1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol (CID 123557394) is 1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol.
What is the SMILES notation for 1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol?
The canonical SMILES for 1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol is C=CCCCCCCCCCC1C(C)C1(O)OC(CO)C(OC)OC.
What is the InChIKey of 1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol?
The InChIKey is WYJYVKNMXFMUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O5/c1-5-6-7-8-9-10-11-12-13-14-17-16(2)20(17,22)25-18(15-21)19(23-3)24-4/h5,16-19,21-22H,1,6-15H2,2-4H3.
What are the key properties of 1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol?
1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol has a molecular weight of 358.52 g/mol, XLogP of 3.63, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol is sourced from PubChem (CID 123557394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).