(5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol

C16H28O2 — CID 70999175

IUPAC(5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol
SMILESCCCC1CC(CC)C2C3CC(CC3C(O)O)C12
InChIInChI=1S/C16H28O2/c1-3-5-10-6-9(4-2)15-12-7-11(14(10)15)8-13(12)16(17)18/h9-18H,3-8H2,1-2H3
InChIKeyJEUPFBDZFGWTQS-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.03
Rot. Bonds4

About (5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol

(5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol (PubChem CID 70999175) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol.

Molecular Properties

Compound Name(5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol
PubChem CID70999175
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol
SMILESCCCC1CC(CC)C2C3CC(CC3C(O)O)C12
InChIInChI=1S/C16H28O2/c1-3-5-10-6-9(4-2)15-12-7-11(14(10)15)8-13(12)16(17)18/h9-18H,3-8H2,1-2H3
InChIKeyJEUPFBDZFGWTQS-UHFFFAOYSA-N
XLogP3.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
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

3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one
CID 20608193
4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid
CID 21351625
tert-butyl 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoate
CID 23554153
2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
3-ethyl-5,8-dimethyltricyclo[5.2.1.02,6]decane
CID 59392103
(2-ethyl-5-methylcyclohexyl)methanediol
CID 123561469
4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 160560583
2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-2-methyl-1,3-dithiolane
CID 88552883
4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 22898213
8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
CID 158067774
2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane
CID 123529702
(2-octylcyclopropyl)methanediol
CID 165392128

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol?
The IUPAC name of (5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol (CID 70999175) is (5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol.
What is the SMILES notation for (5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol?
The canonical SMILES for (5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol is CCCC1CC(CC)C2C3CC(CC3C(O)O)C12.
What is the InChIKey of (5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol?
The InChIKey is JEUPFBDZFGWTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-5-10-6-9(4-2)15-12-7-11(14(10)15)8-13(12)16(17)18/h9-18H,3-8H2,1-2H3.
What are the key properties of (5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol?
(5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol has a molecular weight of 252.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol is sourced from PubChem (CID 70999175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).