1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene

C16H22 — CID 123216377

IUPAC1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
SMILESCCCC(C)c1ccccccccc1C
InChIInChI=1S/C16H22/c1-4-11-14(2)16-13-10-8-6-5-7-9-12-15(16)3/h5-10,12-14H,4,11H2,1-3H3/b6-5-,7-5-,8-6-,9-7+,10-8+,12-9+,13-10+,15-12-,16-13-,16-15+
InChIKeyCYQIKSCNFDXRMI-LHNWWKRPSA-N
MW214.35 g/mol
LogP5.02
Rot. Bonds3

About 1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene

1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene (PubChem CID 123216377) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
PubChem CID123216377
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
SMILESCCCC(C)c1ccccccccc1C
InChIInChI=1S/C16H22/c1-4-11-14(2)16-13-10-8-6-5-7-9-12-15(16)3/h5-10,12-14H,4,11H2,1-3H3/b6-5-,7-5-,8-6-,9-7+,10-8+,12-9+,13-10+,15-12-,16-13-,16-15+
InChIKeyCYQIKSCNFDXRMI-LHNWWKRPSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 54096578
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CID 86190056
N-butyl-3-(2-methylphenyl)butan-1-amine
CID 13219303
1-ethyl-2-[(2S)-pentan-2-yl]benzene
CID 144927407
1-methyl-2-(1-phenylpropan-2-yl)benzene
CID 22356709
2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811
4-(2-methylphenyl)pentanal
CID 88619188
1-ethyl-4-[5-(2-methylphenyl)hexan-2-yl]benzene
CID 91133906
3-methyl-2-(2-methylphenyl)hexanoic acid
CID 56997006
pentan-2-ylbenzene
CID 17627
CID 67747413
CID 67747413

Frequently Asked Questions

What is the IUPAC name of 1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene?
The IUPAC name of 1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene (CID 123216377) is 1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene.
What is the SMILES notation for 1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene?
The canonical SMILES for 1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene is CCCC(C)c1ccccccccc1C.
What is the InChIKey of 1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene?
The InChIKey is CYQIKSCNFDXRMI-LHNWWKRPSA-N. The full InChI is InChI=1S/C16H22/c1-4-11-14(2)16-13-10-8-6-5-7-9-12-15(16)3/h5-10,12-14H,4,11H2,1-3H3/b6-5-,7-5-,8-6-,9-7+,10-8+,12-9+,13-10+,15-12-,16-13-,16-15+.
What are the key properties of 1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene?
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene has a molecular weight of 214.35 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 123216377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).