12-methyltricyclo[8.4.1.12,5]hexadecane

C17H30 — CID 163863196

IUPAC12-methyltricyclo[8.4.1.12,5]hexadecane
SMILESCC1CCC2CC(CCCCC3CCC2C3)C1
InChIInChI=1S/C17H30/c1-13-6-8-16-12-15(10-13)5-3-2-4-14-7-9-17(16)11-14/h13-17H,2-12H2,1H3
InChIKeyPEIYMNAJMJIJPM-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.42
Rot. Bonds

About 12-methyltricyclo[8.4.1.12,5]hexadecane

12-methyltricyclo[8.4.1.12,5]hexadecane (PubChem CID 163863196) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 12-methyltricyclo[8.4.1.12,5]hexadecane.

Molecular Properties

Compound Name12-methyltricyclo[8.4.1.12,5]hexadecane
PubChem CID163863196
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name12-methyltricyclo[8.4.1.12,5]hexadecane
SMILESCC1CCC2CC(CCCCC3CCC2C3)C1
InChIInChI=1S/C17H30/c1-13-6-8-16-12-15(10-13)5-3-2-4-14-7-9-17(16)11-14/h13-17H,2-12H2,1H3
InChIKeyPEIYMNAJMJIJPM-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-3-methylbicyclo[4.3.3]dodecane
CID 140778138
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
3-methylbicyclo[3.3.2]decane;(3R)-3-methylbicyclo[4.2.2]decane;(3R)-3-methylbicyclo[4.3.3]dodecane;3-methylbicyclo[3.1.1]heptane;(2R)-2-methylbicyclo[2.1.1]hexane;(3R)-3-methylbicyclo[4.2.1]nonane;(3R)-3-methylbicyclo[4.1.1]octane;2-methylbicyclo[1.1.1]pentane;3-methylbicyclo[3.3.3]undecane;(3R)-3-methylbicyclo[4.3.2]undecane
CID 162259179
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane
CID 159125813
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane
CID 158844254
4,5-dimethyltricyclo[6.2.1.13,6]dodecane
CID 59550450
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane
CID 135045002
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402

Frequently Asked Questions

What is the IUPAC name of 12-methyltricyclo[8.4.1.12,5]hexadecane?
The IUPAC name of 12-methyltricyclo[8.4.1.12,5]hexadecane (CID 163863196) is 12-methyltricyclo[8.4.1.12,5]hexadecane.
What is the SMILES notation for 12-methyltricyclo[8.4.1.12,5]hexadecane?
The canonical SMILES for 12-methyltricyclo[8.4.1.12,5]hexadecane is CC1CCC2CC(CCCCC3CCC2C3)C1.
What is the InChIKey of 12-methyltricyclo[8.4.1.12,5]hexadecane?
The InChIKey is PEIYMNAJMJIJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-13-6-8-16-12-15(10-13)5-3-2-4-14-7-9-17(16)11-14/h13-17H,2-12H2,1H3.
What are the key properties of 12-methyltricyclo[8.4.1.12,5]hexadecane?
12-methyltricyclo[8.4.1.12,5]hexadecane has a molecular weight of 234.43 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyltricyclo[8.4.1.12,5]hexadecane is sourced from PubChem (CID 163863196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).