(3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol

C16H28O — CID 20661456

IUPAC(3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol
SMILESCCCC1CC(C)C2C3CC(C12)C(C)(CO)C3
InChIInChI=1S/C16H28O/c1-4-5-11-6-10(2)14-12-7-13(15(11)14)16(3,8-12)9-17/h10-15,17H,4-9H2,1-3H3
InChIKeyMMDYJWOUNQKGOK-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.71
Rot. Bonds3

About (3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol

(3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol (PubChem CID 20661456) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol.

Molecular Properties

Compound Name(3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol
PubChem CID20661456
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol
SMILESCCCC1CC(C)C2C3CC(C12)C(C)(CO)C3
InChIInChI=1S/C16H28O/c1-4-5-11-6-10(2)14-12-7-13(15(11)14)16(3,8-12)9-17/h10-15,17H,4-9H2,1-3H3
InChIKeyMMDYJWOUNQKGOK-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;3,8,8,9,9-pentamethyl-5-propyltricyclo[5.2.1.02,6]decane
CID 159252719
2,6-dimethyl-4-propylbicyclo[3.1.0]hexane
CID 123147574
2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid
CID 20622006
4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 143326034
2,5-dimethyl-4-propylcyclohexan-1-ol
CID 58534195
4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 160560583
2-methyl-4-propylcyclobutan-1-ol
CID 91553284
(6-ethyl-2-methyl-2-bicyclo[2.2.1]heptanyl)methanol
CID 89090386
1,2,4-trimethyl-5-propylcyclohexane
CID 20777497
8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
CID 158067774
2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
CID 123471290

Frequently Asked Questions

What is the IUPAC name of (3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol?
The IUPAC name of (3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol (CID 20661456) is (3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol.
What is the SMILES notation for (3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol?
The canonical SMILES for (3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol is CCCC1CC(C)C2C3CC(C12)C(C)(CO)C3.
What is the InChIKey of (3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol?
The InChIKey is MMDYJWOUNQKGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-4-5-11-6-10(2)14-12-7-13(15(11)14)16(3,8-12)9-17/h10-15,17H,4-9H2,1-3H3.
What are the key properties of (3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol?
(3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol has a molecular weight of 236.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol is sourced from PubChem (CID 20661456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).