3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene

C22H42O — CID 142377230

IUPAC3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene
SMILESC=CC.CCCC1CC2CC1C1C(C)CC(C)C21.CCOCC
InChIInChI=1S/C15H26.C4H10O.C3H6/c1-4-5-11-7-12-8-13(11)15-10(3)6-9(2)14(12)15;1-3-5-4-2;1-3-2/h9-15H,4-8H2,1-3H3;3-4H2,1-2H3;3H,1H2,2H3
InChIKeyVFYODDIBVFBTCN-UHFFFAOYSA-N
MW322.58 g/mol
LogP6.59
Rot. Bonds4

About 3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene

3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene (PubChem CID 142377230) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is 3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene.

Molecular Properties

Compound Name3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene
PubChem CID142377230
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene
SMILESC=CC.CCCC1CC2CC1C1C(C)CC(C)C21.CCOCC
InChIInChI=1S/C15H26.C4H10O.C3H6/c1-4-5-11-7-12-8-13(11)15-10(3)6-9(2)14(12)15;1-3-5-4-2;1-3-2/h9-15H,4-8H2,1-3H3;3-4H2,1-2H3;3H,1H2,2H3
InChIKeyVFYODDIBVFBTCN-UHFFFAOYSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 22898213
2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
ethoxyethane;prop-1-ene
CID 22712887
3-ethyl-5,8-dimethyltricyclo[5.2.1.02,6]decane
CID 59392103
8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
CID 158067774
4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 160560583
tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate
CID 158262905
(8R)-4-propyl-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-11-one
CID 146261960
1,2,4-trimethyl-5-propylcyclohexane
CID 20777497
2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine
CID 134298147
3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene
CID 20700134
2,6-dimethyl-4-propylbicyclo[3.1.0]hexane
CID 123147574

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene?
The IUPAC name of 3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene (CID 142377230) is 3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene.
What is the SMILES notation for 3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene?
The canonical SMILES for 3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene is C=CC.CCCC1CC2CC1C1C(C)CC(C)C21.CCOCC.
What is the InChIKey of 3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene?
The InChIKey is VFYODDIBVFBTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26.C4H10O.C3H6/c1-4-5-11-7-12-8-13(11)15-10(3)6-9(2)14(12)15;1-3-5-4-2;1-3-2/h9-15H,4-8H2,1-3H3;3-4H2,1-2H3;3H,1H2,2H3.
What are the key properties of 3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene?
3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene has a molecular weight of 322.58 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene is sourced from PubChem (CID 142377230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).