2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane

C14H22 — CID 123735481

IUPAC2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane
SMILESCC=CCC1C(=C(C)C)CC1C=CC
InChIInChI=1S/C14H22/c1-5-7-9-13-12(8-6-2)10-14(13)11(3)4/h5-8,12-13H,9-10H2,1-4H3
InChIKeyRKDMUPHHAYEGHT-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.50
Rot. Bonds3

About 2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane

2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane (PubChem CID 123735481) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane.

Molecular Properties

Compound Name2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane
PubChem CID123735481
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane
SMILESCC=CCC1C(=C(C)C)CC1C=CC
InChIInChI=1S/C14H22/c1-5-7-9-13-12(8-6-2)10-14(13)11(3)4/h5-8,12-13H,9-10H2,1-4H3
InChIKeyRKDMUPHHAYEGHT-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.50
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

trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one
CID 102302214
[(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol
CID 94036836
trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane
CID 134897688
2-[(E)-but-2-enyl]-3-methylcyclopentan-1-one
CID 131233020
1-(2-methylbutyl)-2-propan-2-ylidenecyclopropane
CID 91166091
2-(2-prop-1-enylcyclopropyl)acetic acid
CID 123975419
2-[(1S,2S)-2-but-2-enyl-4-oxocyclopentyl]propanoic acid
CID 91423751
2-but-2-enylcyclobutan-1-ol
CID 71372115
[2-[(E)-prop-1-enyl]cyclobutyl]methanol
CID 130142800
cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid
CID 90666534
(2S)-1-but-2-enyl-2-methylcyclopropane
CID 59524462
1-[(Z)-but-2-enyl]-2-methylcyclopropane
CID 143324867

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane?
The IUPAC name of 2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane (CID 123735481) is 2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane.
What is the SMILES notation for 2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane?
The canonical SMILES for 2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane is CC=CCC1C(=C(C)C)CC1C=CC.
What is the InChIKey of 2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane?
The InChIKey is RKDMUPHHAYEGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-5-7-9-13-12(8-6-2)10-14(13)11(3)4/h5-8,12-13H,9-10H2,1-4H3.
What are the key properties of 2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane?
2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane has a molecular weight of 190.33 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane is sourced from PubChem (CID 123735481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).