2-prop-1-en-2-ylbicyclo[9.7.0]octadecane

C21H38 — CID 123413845

IUPAC2-prop-1-en-2-ylbicyclo[9.7.0]octadecane
SMILESC=C(C)C1CCCCCCCCC2CCCCCCCC21
InChIInChI=1S/C21H38/c1-18(2)20-16-12-8-4-3-6-10-14-19-15-11-7-5-9-13-17-21(19)20/h19-21H,1,3-17H2,2H3
InChIKeyDWMBINXEBSZYDA-UHFFFAOYSA-N
MW290.54 g/mol
LogP7.29
Rot. Bonds1

About 2-prop-1-en-2-ylbicyclo[9.7.0]octadecane

2-prop-1-en-2-ylbicyclo[9.7.0]octadecane (PubChem CID 123413845) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is 2-prop-1-en-2-ylbicyclo[9.7.0]octadecane.

Molecular Properties

Compound Name2-prop-1-en-2-ylbicyclo[9.7.0]octadecane
PubChem CID123413845
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name2-prop-1-en-2-ylbicyclo[9.7.0]octadecane
SMILESC=C(C)C1CCCCCCCCC2CCCCCCCC21
InChIInChI=1S/C21H38/c1-18(2)20-16-12-8-4-3-6-10-14-19-15-11-7-5-9-13-17-21(19)20/h19-21H,1,3-17H2,2H3
InChIKeyDWMBINXEBSZYDA-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-prop-1-en-2-ylcyclododecan-1-ol
CID 141054945
trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane
CID 163550244
1-[(1S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethanone
CID 177221987
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 123725309
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-methylbut-2-enedioic acid
CID 70037885
butyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)prop-2-enoate
CID 175495478
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 2-methylprop-2-enoate
CID 18400373
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese
CID 70185276
cis-(1R,2R)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 12033954
cis-(1R,2R)-2-prop-1-en-2-ylcyclohexane-1-carbaldehyde
CID 102109585
(1R)-2-cyclohexylcyclohexan-1-ol
CID 130125210

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-ylbicyclo[9.7.0]octadecane?
The IUPAC name of 2-prop-1-en-2-ylbicyclo[9.7.0]octadecane (CID 123413845) is 2-prop-1-en-2-ylbicyclo[9.7.0]octadecane.
What is the SMILES notation for 2-prop-1-en-2-ylbicyclo[9.7.0]octadecane?
The canonical SMILES for 2-prop-1-en-2-ylbicyclo[9.7.0]octadecane is C=C(C)C1CCCCCCCCC2CCCCCCCC21.
What is the InChIKey of 2-prop-1-en-2-ylbicyclo[9.7.0]octadecane?
The InChIKey is DWMBINXEBSZYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-18(2)20-16-12-8-4-3-6-10-14-19-15-11-7-5-9-13-17-21(19)20/h19-21H,1,3-17H2,2H3.
What are the key properties of 2-prop-1-en-2-ylbicyclo[9.7.0]octadecane?
2-prop-1-en-2-ylbicyclo[9.7.0]octadecane has a molecular weight of 290.54 g/mol, XLogP of 7.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylbicyclo[9.7.0]octadecane is sourced from PubChem (CID 123413845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).