but-1-ene;1,1,2,3-tetramethylcyclohexane

C14H28 — CID 142112432

IUPACbut-1-ene;1,1,2,3-tetramethylcyclohexane
SMILESC=CCC.CC1CCCC(C)(C)C1C
InChIInChI=1S/C10H20.C4H8/c1-8-6-5-7-10(3,4)9(8)2;1-3-4-2/h8-9H,5-7H2,1-4H3;3H,1,4H2,2H3
InChIKeyILDKVBMLNNDCSI-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.05
Rot. Bonds1

About but-1-ene;1,1,2,3-tetramethylcyclohexane

but-1-ene;1,1,2,3-tetramethylcyclohexane (PubChem CID 142112432) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is but-1-ene;1,1,2,3-tetramethylcyclohexane.

Molecular Properties

Compound Namebut-1-ene;1,1,2,3-tetramethylcyclohexane
PubChem CID142112432
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Namebut-1-ene;1,1,2,3-tetramethylcyclohexane
SMILESC=CCC.CC1CCCC(C)(C)C1C
InChIInChI=1S/C10H20.C4H8/c1-8-6-5-7-10(3,4)9(8)2;1-3-4-2/h8-9H,5-7H2,1-4H3;3H,1,4H2,2H3
InChIKeyILDKVBMLNNDCSI-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.05
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

formaldehyde;1,1,2,3-tetramethylcyclohexane
CID 175438935
2-but-3-enyl-1,1,3-trimethylcyclohexane
CID 91050583
ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane
CID 176966698
(2R)-2-hexa-1,5-dien-2-yl-1,1,3-trimethylcyclohexane
CID 144781203
but-1-ene;ethane;methylcyclopentane
CID 153403390
N,2,3,3-tetramethylcyclohexan-1-amine
CID 70180656
2-[(2S)-butan-2-yl]-1,1,3-trimethylcyclohexane
CID 163963914
cis-(2S,3R)-2-[(E)-but-2-enyl]-1,1,3-trimethylcyclohexane
CID 173431731
3-ethyl-1,1,2-trimethylcyclopentane
CID 123564312
but-1-ene;ethylcyclobutane;ethylcyclopropane;methane
CID 158958125
1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane
CID 91136006
1,2-dimethyl-1-prop-2-enylcyclopentane
CID 148975719

Frequently Asked Questions

What is the IUPAC name of but-1-ene;1,1,2,3-tetramethylcyclohexane?
The IUPAC name of but-1-ene;1,1,2,3-tetramethylcyclohexane (CID 142112432) is but-1-ene;1,1,2,3-tetramethylcyclohexane.
What is the SMILES notation for but-1-ene;1,1,2,3-tetramethylcyclohexane?
The canonical SMILES for but-1-ene;1,1,2,3-tetramethylcyclohexane is C=CCC.CC1CCCC(C)(C)C1C.
What is the InChIKey of but-1-ene;1,1,2,3-tetramethylcyclohexane?
The InChIKey is ILDKVBMLNNDCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C4H8/c1-8-6-5-7-10(3,4)9(8)2;1-3-4-2/h8-9H,5-7H2,1-4H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;1,1,2,3-tetramethylcyclohexane?
but-1-ene;1,1,2,3-tetramethylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;1,1,2,3-tetramethylcyclohexane is sourced from PubChem (CID 142112432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).