(E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane

C17H34 — CID 164960438

IUPAC(E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane
SMILESCC(C)/C=C/C(C)C.CC(C)C1CC1C(C)C
InChIInChI=1S/C9H18.C8H16/c1-6(2)8-5-9(8)7(3)4;1-7(2)5-6-8(3)4/h6-9H,5H2,1-4H3;5-8H,1-4H3/b;6-5+
InChIKeyBTMLURCGSJUVEJ-MXDQRGINSA-N
MW238.46 g/mol
LogP5.79
Rot. Bonds4

About (E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane

(E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane (PubChem CID 164960438) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is (E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane.

Molecular Properties

Compound Name(E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane
PubChem CID164960438
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name(E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane
SMILESCC(C)/C=C/C(C)C.CC(C)C1CC1C(C)C
InChIInChI=1S/C9H18.C8H16/c1-6(2)8-5-9(8)7(3)4;1-7(2)5-6-8(3)4/h6-9H,5H2,1-4H3;5-8H,1-4H3/b;6-5+
InChIKeyBTMLURCGSJUVEJ-MXDQRGINSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.79
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-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123798468
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
1-ethyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123962294
1,1-di(propan-2-yl)cyclopropane;1,2-di(propan-2-yl)cyclopropane;methane
CID 160557443
1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane
CID 123819906
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
cis-(1S,2S)-1-chloro-2-propan-2-ylcyclopropane
CID 59618047
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane
CID 59618199
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane
CID 123373776

Frequently Asked Questions

What is the IUPAC name of (E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane?
The IUPAC name of (E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane (CID 164960438) is (E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane.
What is the SMILES notation for (E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane?
The canonical SMILES for (E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane is CC(C)/C=C/C(C)C.CC(C)C1CC1C(C)C.
What is the InChIKey of (E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane?
The InChIKey is BTMLURCGSJUVEJ-MXDQRGINSA-N. The full InChI is InChI=1S/C9H18.C8H16/c1-6(2)8-5-9(8)7(3)4;1-7(2)5-6-8(3)4/h6-9H,5H2,1-4H3;5-8H,1-4H3/b;6-5+.
What are the key properties of (E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane?
(E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane has a molecular weight of 238.46 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dimethylhex-3-ene;1,2-di(propan-2-yl)cyclopropane is sourced from PubChem (CID 164960438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).