3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane

C24H38 — CID 142059263

IUPAC3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane
SMILESCC#CC1CCC2CC(CC)C3C4C(C)CCCC3(C)CCC1C24
InChIInChI=1S/C24H38/c1-5-8-18-10-11-19-15-17(6-2)23-21-16(3)9-7-13-24(23,4)14-12-20(18)22(19)21/h16-23H,6-7,9-15H2,1-4H3
InChIKeyWPWFOJYDCZLBJV-UHFFFAOYSA-N
MW326.57 g/mol
LogP6.55
Rot. Bonds1

About 3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane

3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane (PubChem CID 142059263) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is 3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane.

Molecular Properties

Compound Name3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane
PubChem CID142059263
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane
SMILESCC#CC1CCC2CC(CC)C3C4C(C)CCCC3(C)CCC1C24
InChIInChI=1S/C24H38/c1-5-8-18-10-11-19-15-17(6-2)23-21-16(3)9-7-13-24(23,4)14-12-20(18)22(19)21/h16-23H,6-7,9-15H2,1-4H3
InChIKeyWPWFOJYDCZLBJV-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane with MolForge

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Related Compounds

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cis-(1S,2S)-1-ethyl-2-methylcyclohexane
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trans-(1R,2S)-1-ethyl-2-methylcyclobutane
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2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane
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(2S)-2-ethylbicyclo[2.2.0]hexane
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ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
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CID 44559303
13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane
CID 91282167
1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 174946291
(7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
CID 176554506
ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane
CID 176966698
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane?
The IUPAC name of 3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane (CID 142059263) is 3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane.
What is the SMILES notation for 3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane?
The canonical SMILES for 3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane is CC#CC1CCC2CC(CC)C3C4C(C)CCCC3(C)CCC1C24.
What is the InChIKey of 3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane?
The InChIKey is WPWFOJYDCZLBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38/c1-5-8-18-10-11-19-15-17(6-2)23-21-16(3)9-7-13-24(23,4)14-12-20(18)22(19)21/h16-23H,6-7,9-15H2,1-4H3.
What are the key properties of 3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane?
3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane has a molecular weight of 326.57 g/mol, XLogP of 6.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-12,16-dimethyl-8-prop-1-ynyltetracyclo[7.7.1.02,12.05,17]heptadecane is sourced from PubChem (CID 142059263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).