3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C16H24 — CID 58143174

IUPAC3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC1(C)C2CC3C4CC5CC3C1C(C5)C4C2
InChIInChI=1S/C16H24/c1-16(2)9-6-11-10-3-8-4-13(11)15(16)14(5-8)12(10)7-9/h8-15H,3-7H2,1-2H3
InChIKeyRMEWMOFKMLNGMH-UHFFFAOYSA-N
MW216.37 g/mol
LogP3.96
Rot. Bonds

About 3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 58143174) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID58143174
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC1(C)C2CC3C4CC5CC3C1C(C5)C4C2
InChIInChI=1S/C16H24/c1-16(2)9-6-11-10-3-8-4-13(11)15(16)14(5-8)12(10)7-9/h8-15H,3-7H2,1-2H3
InChIKeyRMEWMOFKMLNGMH-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 91434011
2,2-dimethyladamantane;ethane
CID 91483373
1'-methylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]
CID 59848681
1',4'-dimethylspiro[pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,2'-pyrrolidine]
CID 25122204
2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2-tert-butyl-2,4-dimethylpentanoate
CID 91080885
8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane
CID 123730283
11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane
CID 162243036
2,4,9-trimethyladamantane
CID 140700120
4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 59157224
bis(2-methyl-2-adamantyl)diazene
CID 134985564
CID 59649959
CID 59649959

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 58143174) is 3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is CC1(C)C2CC3C4CC5CC3C1C(C5)C4C2.
What is the InChIKey of 3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is RMEWMOFKMLNGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-16(2)9-6-11-10-3-8-4-13(11)15(16)14(5-8)12(10)7-9/h8-15H,3-7H2,1-2H3.
What are the key properties of 3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 216.37 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 58143174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).