(3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol

C17H30O2 — CID 71026773

IUPAC(3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol
SMILESCCC1CC(CC)C2C1C1CC2C(C)(C(O)OC)C1
InChIInChI=1S/C17H30O2/c1-5-10-7-11(6-2)15-13-8-12(14(10)15)9-17(13,3)16(18)19-4/h10-16,18H,5-9H2,1-4H3
InChIKeyJOGAFLDLODNUJG-UHFFFAOYSA-N
MW266.42 g/mol
LogP3.69
Rot. Bonds4

About (3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol

(3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol (PubChem CID 71026773) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol.

Molecular Properties

Compound Name(3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol
PubChem CID71026773
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol
SMILESCCC1CC(CC)C2C1C1CC2C(C)(C(O)OC)C1
InChIInChI=1S/C17H30O2/c1-5-10-7-11(6-2)15-13-8-12(14(10)15)9-17(13,3)16(18)19-4/h10-16,18H,5-9H2,1-4H3
InChIKeyJOGAFLDLODNUJG-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-2-methyl-1,3-dithiolane
CID 88552883
(R)-1-adamantyl(methoxy)methanol
CID 124639055
2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate
CID 59972661
(5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol
CID 70999175
tert-butyl 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoate
CID 23554153
2-butan-2-yl-5-ethyl-2-methylbicyclo[2.2.0]hexane
CID 123515409
11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane
CID 170200272
(3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol
CID 20661456
1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol
CID 67160266
4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid
CID 21351625
2-(2-methoxyethoxy)butane;4-methyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91444187
[(1R,3S,4S,6S,8S)-4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] prop-2-enoate
CID 138643060

Frequently Asked Questions

What is the IUPAC name of (3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol?
The IUPAC name of (3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol (CID 71026773) is (3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol.
What is the SMILES notation for (3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol?
The canonical SMILES for (3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol is CCC1CC(CC)C2C1C1CC2C(C)(C(O)OC)C1.
What is the InChIKey of (3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol?
The InChIKey is JOGAFLDLODNUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-5-10-7-11(6-2)15-13-8-12(14(10)15)9-17(13,3)16(18)19-4/h10-16,18H,5-9H2,1-4H3.
What are the key properties of (3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol?
(3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol has a molecular weight of 266.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol is sourced from PubChem (CID 71026773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).