1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane

C19H28 — CID 123810122

IUPAC1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane
SMILESCC1C2C3CC1(C)C1(C)C(C)C4C5C3C2C5C4C1C
InChIInChI=1S/C19H28/c1-7-11-10-6-18(7,4)19(5)8(2)12-13(9(19)3)17-15(11)14(10)16(12)17/h7-17H,6H2,1-5H3
InChIKeyJLTSYDFZOYVAMA-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.31
Rot. Bonds

About 1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane

1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane (PubChem CID 123810122) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane.

Molecular Properties

Compound Name1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane
PubChem CID123810122
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane
SMILESCC1C2C3CC1(C)C1(C)C(C)C4C5C3C2C5C4C1C
InChIInChI=1S/C19H28/c1-7-11-10-6-18(7,4)19(5)8(2)12-13(9(19)3)17-15(11)14(10)16(12)17/h7-17H,6H2,1-5H3
InChIKeyJLTSYDFZOYVAMA-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane with MolForge

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Related Compounds

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CID 123168411
2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane
CID 123913198
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
N,1,3-trimethylcyclobutan-1-amine
CID 146805170
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane
CID 123392988
(2R,6S)-2,4,6-trimethylpiperidin-4-ol
CID 168826968
19,20-dimethylnonadecacyclo[36.2.0.02,37.03,36.04,35.05,34.06,33.07,32.08,31.09,30.010,29.011,28.012,27.013,26.014,25.015,24.016,23.017,22.018,21]tetracontane
CID 59256890
17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane
CID 59256891
2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane
CID 91082201
2-methylcyclopropane-1,1-diol
CID 68932442

Frequently Asked Questions

What is the IUPAC name of 1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane?
The IUPAC name of 1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane (CID 123810122) is 1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane.
What is the SMILES notation for 1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane?
The canonical SMILES for 1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane is CC1C2C3CC1(C)C1(C)C(C)C4C5C3C2C5C4C1C.
What is the InChIKey of 1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane?
The InChIKey is JLTSYDFZOYVAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-7-11-10-6-18(7,4)19(5)8(2)12-13(9(19)3)17-15(11)14(10)16(12)17/h7-17H,6H2,1-5H3.
What are the key properties of 1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane?
1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane has a molecular weight of 256.43 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane is sourced from PubChem (CID 123810122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).