10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane

C19H24 — CID 143326459

IUPAC10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane
SMILESCC1CC2C3C4CC5CC6C7C8C(C)C12C8(C)C37C546
InChIInChI=1S/C19H24/c1-7-4-10-14-11-5-9-6-12-15-13-8(2)17(7,10)16(13,3)19(14,15)18(9,11)12/h7-15H,4-6H2,1-3H3
InChIKeyZCCBJOWLPIAWLU-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.82
Rot. Bonds

About 10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane

10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane (PubChem CID 143326459) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane.

Molecular Properties

Compound Name10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane
PubChem CID143326459
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane
SMILESCC1CC2C3C4CC5CC6C7C8C(C)C12C8(C)C37C546
InChIInChI=1S/C19H24/c1-7-4-10-14-11-5-9-6-12-15-13-8(2)17(7,10)16(13,3)19(14,15)18(9,11)12/h7-15H,4-6H2,1-3H3
InChIKeyZCCBJOWLPIAWLU-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
CID 144514053
(22S,23S,24S,25S,26S,27S,28S,29S,30R,32R,33R,34R,35R,36R,37R)-tetratriacontacyclo[35.1.1.14,36.15,35.16,34.17,33.18,32.19,31.110,30.111,29.112,28.113,27.114,26.115,25.116,24.117,23.118,20.03,39.022,54.039,40.040,41.041,42.042,43.043,44.044,45.045,46.046,47.047,48.048,49.049,50.050,51.051,52.052,53.053,54]tetrapentacontane
CID 59330514
cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane
CID 158465043
(8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane
CID 174300171
N-chloromethanamine;methanethiol;octacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
CID 142048716
1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane
CID 123216634
1,2,3,6-tetramethylbicyclo[2.2.0]hexane
CID 123570801
1,2,3,9,10-pentamethyltetracyclo[4.4.0.02,5.07,10]decane
CID 123696260
7,8,9,10-tetramethyldodecacyclo[10.8.0.01,4.02,9.02,11.03,6.03,8.04,19.05,18.013,20.015,20.016,19]icosane
CID 20740891
2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CID 11038
(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CID 122598312
4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
CID 174043765

Frequently Asked Questions

What is the IUPAC name of 10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane?
The IUPAC name of 10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane (CID 143326459) is 10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane.
What is the SMILES notation for 10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane?
The canonical SMILES for 10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane is CC1CC2C3C4CC5CC6C7C8C(C)C12C8(C)C37C546.
What is the InChIKey of 10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane?
The InChIKey is ZCCBJOWLPIAWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-7-4-10-14-11-5-9-6-12-15-13-8(2)17(7,10)16(13,3)19(14,15)18(9,11)12/h7-15H,4-6H2,1-3H3.
What are the key properties of 10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane?
10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane has a molecular weight of 252.40 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane is sourced from PubChem (CID 143326459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).