3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane

C11H16 — CID 163960686

IUPAC3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane
SMILESC=C(C)C1CCC23CC2(C1)C3
InChIInChI=1S/C11H16/c1-8(2)9-3-4-10-6-11(10,5-9)7-10/h9H,1,3-7H2,2H3
InChIKeySHDKUSMLLFFFPH-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.14
Rot. Bonds1

About 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane

3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane (PubChem CID 163960686) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane.

Molecular Properties

Compound Name3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane
PubChem CID163960686
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane
SMILESC=C(C)C1CCC23CC2(C1)C3
InChIInChI=1S/C11H16/c1-8(2)9-3-4-10-6-11(10,5-9)7-10/h9H,1,3-7H2,2H3
InChIKeySHDKUSMLLFFFPH-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.14
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

(1S,3R,5R,8S,10R,12R)-5,12-bis(prop-1-en-2-yl)-2,9-dioxatetracyclo[6.6.2.01,10.03,8]hexadecane-3,10-diol
CID 139091680
cis-(1R,3R)-1-methyl-3-prop-1-en-2-ylcyclohexan-1-ol
CID 162915511
1-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 155018164
(3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol
CID 102057385
(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one
CID 10036509
(3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol
CID 129317216
(3S,5R,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 42608177
(3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
CID 163013816
(1aR,2S,4aS,7R,8aS)-1a,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphtho[1,8a-b]oxiren-2-ol
CID 102090505
(1-acetyloxy-2-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate
CID 91573229
(1S,4R,4aR,6R,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
CID 162963435
(1S,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
CID 86310295

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane?
The IUPAC name of 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane (CID 163960686) is 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane.
What is the SMILES notation for 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane?
The canonical SMILES for 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane is C=C(C)C1CCC23CC2(C1)C3.
What is the InChIKey of 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane?
The InChIKey is SHDKUSMLLFFFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-8(2)9-3-4-10-6-11(10,5-9)7-10/h9H,1,3-7H2,2H3.
What are the key properties of 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane?
3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane has a molecular weight of 148.25 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane is sourced from PubChem (CID 163960686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).