(1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol

C18H32O3 — CID 11185565

IUPAC(1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
SMILESC=C[C@@H]1O[C@]2(CCCCCCCCCC)O[C@H]1CC[C@H]2O
InChIInChI=1S/C18H32O3/c1-3-5-6-7-8-9-10-11-14-18-17(19)13-12-16(21-18)15(4-2)20-18/h4,15-17,19H,2-3,5-14H2,1H3/t15-,16-,17+,18+/m0/s1
InChIKeyDUEKMNSZQMWSIH-WNRNVDISSA-N
MW296.45 g/mol
LogP4.34
Rot. Bonds10

About (1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol

(1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol (PubChem CID 11185565) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name(1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
PubChem CID11185565
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
SMILESC=C[C@@H]1O[C@]2(CCCCCCCCCC)O[C@H]1CC[C@H]2O
InChIInChI=1S/C18H32O3/c1-3-5-6-7-8-9-10-11-14-18-17(19)13-12-16(21-18)15(4-2)20-18/h4,15-17,19H,2-3,5-14H2,1H3/t15-,16-,17+,18+/m0/s1
InChIKeyDUEKMNSZQMWSIH-WNRNVDISSA-N
XLogP4.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.34
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'}

Analyze (1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
5-hexyl-5-methyloxolan-2-ol
CID 134558115
1-pentylbicyclo[3.1.0]hexan-2-ol
CID 69469372
(4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11020214
(3R)-2,2-dibutyl-3-ethenyloxirane
CID 154719468
4a-heptyl-3,6,7,8a-tetrahydro-2H-[1,4]dioxino[2,3-b][1,4]dioxine
CID 139775673
[(2S)-2-hexyl-2-prop-2-enylcyclopropyl]methanol
CID 102316504
(2S)-2-ethenyl-2-hexadecyloxirane
CID 11358364
1-octyl-1-prop-2-enylcyclopropane
CID 134979265
(2R)-2-ethenyl-2-hexyloxirane
CID 154718439
10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,4-diol
CID 134552048
ethenol;heptadecane
CID 158851930

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol?
The IUPAC name of (1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol (CID 11185565) is (1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for (1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for (1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol is C=C[C@@H]1O[C@]2(CCCCCCCCCC)O[C@H]1CC[C@H]2O.
What is the InChIKey of (1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol?
The InChIKey is DUEKMNSZQMWSIH-WNRNVDISSA-N. The full InChI is InChI=1S/C18H32O3/c1-3-5-6-7-8-9-10-11-14-18-17(19)13-12-16(21-18)15(4-2)20-18/h4,15-17,19H,2-3,5-14H2,1H3/t15-,16-,17+,18+/m0/s1.
What are the key properties of (1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol?
(1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol has a molecular weight of 296.45 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5S,7S)-5-decyl-7-ethenyl-6,8-dioxabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 11185565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).