4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen

C23H42 — CID 144966379

IUPAC4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen
SMILESC=C(C)C1(C)CCC2C3(CCC)C(CCCC)CCC23C1CC.[H][H]
InChIInChI=1S/C23H40.H2/c1-7-10-11-18-12-16-23-19(9-3)21(6,17(4)5)15-13-20(23)22(18,23)14-8-2;/h18-20H,4,7-16H2,1-3,5-6H3;1H
InChIKeyPOLOBUSAGXSKIF-UHFFFAOYSA-N
MW318.59 g/mol
LogP7.64
Rot. Bonds7

About 4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen

4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen (PubChem CID 144966379) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen.

Molecular Properties

Compound Name4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen
PubChem CID144966379
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen
SMILESC=C(C)C1(C)CCC2C3(CCC)C(CCCC)CCC23C1CC.[H][H]
InChIInChI=1S/C23H40.H2/c1-7-10-11-18-12-16-23-19(9-3)21(6,17(4)5)15-13-20(23)22(18,23)14-8-2;/h18-20H,4,7-16H2,1-3,5-6H3;1H
InChIKeyPOLOBUSAGXSKIF-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen with MolForge

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Related Compounds

2-hexyl-1,1-dimethoxycyclobutane
CID 11412991
4-prop-1-en-2-yl-4-propylcyclohexan-1-amine
CID 123228921
2-(5-ethanimidoyl-6-methyl-10-propyl-11-tetracyclo[7.4.0.01,10.02,6]tridecanyl)acetaldehyde;methane
CID 168883472
ethane;ethene;molecular hydrogen;1,1,1-trifluorobutane;trimethyl-[3-[1-(6-methyl-11-prop-2-enyl-10-propyl-5-tetracyclo[7.4.0.01,10.02,6]tridecanyl)ethylideneamino]propylamino]azanium
CID 168883491
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
1,1-dimethyl-2-octylcyclopropane
CID 15329257
[2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane
CID 57294731
(1,2,2,3-tetrabutylcyclohexyl) 2-methylprop-2-enoate
CID 141243502
azane;2-butyl-1,1-dimethylcyclopentane
CID 174501444
1-ethenyl-2-hexylcyclopentan-1-ol
CID 118116896
3-dodecyl-2,2,6,6-tetramethylpiperidine
CID 173069280
1-cyclopropyl-2-pentylcyclopentan-1-ol
CID 118117047

Frequently Asked Questions

What is the IUPAC name of 4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen?
The IUPAC name of 4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen (CID 144966379) is 4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen.
What is the SMILES notation for 4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen?
The canonical SMILES for 4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen is C=C(C)C1(C)CCC2C3(CCC)C(CCCC)CCC23C1CC.[H][H].
What is the InChIKey of 4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen?
The InChIKey is POLOBUSAGXSKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40.H2/c1-7-10-11-18-12-16-23-19(9-3)21(6,17(4)5)15-13-20(23)22(18,23)14-8-2;/h18-20H,4,7-16H2,1-3,5-6H3;1H.
What are the key properties of 4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen?
4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen has a molecular weight of 318.59 g/mol, XLogP of 7.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-10-ethyl-9-methyl-9-prop-1-en-2-yl-5-propyltricyclo[4.4.0.01,5]decane;molecular hydrogen is sourced from PubChem (CID 144966379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).