12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane

C35H40 — CID 143323283

IUPAC12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane
SMILESC.CCCCC(CC)CC1=C2c3cc(C)c4ccccc4c3-c3c2c(c(C)c2ccccc32)CC1
InChIInChI=1S/C34H36.CH4/c1-5-7-12-23(6-2)20-24-17-18-27-22(4)26-14-9-11-16-29(26)34-32-28-15-10-8-13-25(28)21(3)19-30(32)31(24)33(27)34;/h8-11,13-16,19,23H,5-7,12,17-18,20H2,1-4H3;1H4
InChIKeyWANPENJZEAELMQ-UHFFFAOYSA-N
MW460.71 g/mol
LogP10.58
Rot. Bonds6

About 12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane

12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane (PubChem CID 143323283) has the molecular formula C35H40 and a molecular weight of 460.71 g/mol. Its IUPAC name is 12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane.

Molecular Properties

Compound Name12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane
PubChem CID143323283
Molecular FormulaC35H40
Molecular Weight460.71 g/mol
Exact Mass460.31
IUPAC Name12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane
SMILESC.CCCCC(CC)CC1=C2c3cc(C)c4ccccc4c3-c3c2c(c(C)c2ccccc32)CC1
InChIInChI=1S/C34H36.CH4/c1-5-7-12-23(6-2)20-24-17-18-27-22(4)26-14-9-11-16-29(26)34-32-28-15-10-8-13-25(28)21(3)19-30(32)31(24)33(27)34;/h8-11,13-16,19,23H,5-7,12,17-18,20H2,1-4H3;1H4
InChIKeyWANPENJZEAELMQ-UHFFFAOYSA-N
XLogP10.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.71
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane with MolForge

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Related Compounds

6-[4,8-bis(2-ethylhexyl)-6-methylnaphthalen-2-yl]-12-methylchrysene
CID 123741523
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene
CID 143125709
2-[10-(2-ethylhexyl)-6-methylphenanthren-9-yl]thiophene
CID 143404763
9,10-bis[4-[4-(2,2-diphenylethenyl)phenyl]-2-(2-ethylhexoxy)-5-methylphenyl]anthracene
CID 46178681
1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene
CID 123773607
1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene
CID 173144517
1-chloro-3-[3-chloro-2-(2-ethylhexoxy)-6-methylphenyl]-2-(2-ethylhexoxy)-4-methylbenzene
CID 21028376
2-(2-ethylhexyl)tellurophene
CID 175050846
9-methyl-10-[2-methyl-5-(10-phenanthren-3-ylanthracen-9-yl)phenyl]phenanthrene;pentane
CID 144703476
3-(2-ethylhexyl)naphthalene-1,2-dicarbonitrile
CID 139677245
1,3-bis(2-ethylhexyl)-1H-indene
CID 582598

Frequently Asked Questions

What is the IUPAC name of 12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane?
The IUPAC name of 12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane (CID 143323283) is 12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane.
What is the SMILES notation for 12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane?
The canonical SMILES for 12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane is C.CCCCC(CC)CC1=C2c3cc(C)c4ccccc4c3-c3c2c(c(C)c2ccccc32)CC1.
What is the InChIKey of 12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane?
The InChIKey is WANPENJZEAELMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36.CH4/c1-5-7-12-23(6-2)20-24-17-18-27-22(4)26-14-9-11-16-29(26)34-32-28-15-10-8-13-25(28)21(3)19-30(32)31(24)33(27)34;/h8-11,13-16,19,23H,5-7,12,17-18,20H2,1-4H3;1H4.
What are the key properties of 12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane?
12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane has a molecular weight of 460.71 g/mol, XLogP of 10.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-ethylhexyl)-8,16-dimethylhexacyclo[11.10.1.02,7.09,24.014,23.017,22]tetracosa-1(24),2,4,6,8,12,14(23),15,17,19,21-undecaene;methane is sourced from PubChem (CID 143323283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).