1-[(Z)-prop-1-enyl]-3-propyladamantane

C16H26 — CID 21160735

IUPAC1-[(Z)-prop-1-enyl]-3-propyladamantane
SMILESC/C=C\C12CC3CC(C1)CC(CCC)(C3)C2
InChIInChI=1S/C16H26/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h3,5,13-14H,4,6-12H2,1-2H3/b5-3-
InChIKeyCRKGQMSUXYSVOM-HYXAFXHYSA-N
MW218.38 g/mol
LogP4.95
Rot. Bonds3

About 1-[(Z)-prop-1-enyl]-3-propyladamantane

1-[(Z)-prop-1-enyl]-3-propyladamantane (PubChem CID 21160735) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enyl]-3-propyladamantane.

Molecular Properties

Compound Name1-[(Z)-prop-1-enyl]-3-propyladamantane
PubChem CID21160735
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-[(Z)-prop-1-enyl]-3-propyladamantane
SMILESC/C=C\C12CC3CC(C1)CC(CCC)(C3)C2
InChIInChI=1S/C16H26/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h3,5,13-14H,4,6-12H2,1-2H3/b5-3-
InChIKeyCRKGQMSUXYSVOM-HYXAFXHYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.95
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

1-ethyl-3-[(E)-prop-1-enyl]adamantane
CID 5374456
1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane
CID 173113583
(5S,7R)-3-propyladamantan-1-ol
CID 1225075
1-butyl-3-(3-butyl-1-adamantyl)adamantane
CID 90876469
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine
CID 818513
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride
CID 53444440
1-ethyl-3,5-dipropyladamantane
CID 609649
3-butyladamantan-1-ol
CID 71257981
3-propylbicyclo[1.1.1]pentane-1-carbaldehyde
CID 167557016
1,2,3-tripropyladamantan-2-amine
CID 175059310
5-prop-1-enyladamantane-1,3-diol
CID 141223599
3,5-dipropyladamantan-1-ol
CID 71257511

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-prop-1-enyl]-3-propyladamantane?
The IUPAC name of 1-[(Z)-prop-1-enyl]-3-propyladamantane (CID 21160735) is 1-[(Z)-prop-1-enyl]-3-propyladamantane.
What is the SMILES notation for 1-[(Z)-prop-1-enyl]-3-propyladamantane?
The canonical SMILES for 1-[(Z)-prop-1-enyl]-3-propyladamantane is C/C=C\C12CC3CC(C1)CC(CCC)(C3)C2.
What is the InChIKey of 1-[(Z)-prop-1-enyl]-3-propyladamantane?
The InChIKey is CRKGQMSUXYSVOM-HYXAFXHYSA-N. The full InChI is InChI=1S/C16H26/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h3,5,13-14H,4,6-12H2,1-2H3/b5-3-.
What are the key properties of 1-[(Z)-prop-1-enyl]-3-propyladamantane?
1-[(Z)-prop-1-enyl]-3-propyladamantane has a molecular weight of 218.38 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enyl]-3-propyladamantane is sourced from PubChem (CID 21160735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).