1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane

C16H26O — CID 102580724

IUPAC1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane
SMILESC=CCOCC1C(=C=C(C)CCCC)C1(C)C
InChIInChI=1S/C16H26O/c1-6-8-9-13(3)11-14-15(16(14,4)5)12-17-10-7-2/h7,15H,2,6,8-10,12H2,1,3-5H3
InChIKeySHHAUORMGFNTDX-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.51
Rot. Bonds7

About 1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane

1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane (PubChem CID 102580724) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane
PubChem CID102580724
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane
SMILESC=CCOCC1C(=C=C(C)CCCC)C1(C)C
InChIInChI=1S/C16H26O/c1-6-8-9-13(3)11-14-15(16(14,4)5)12-17-10-7-2/h7,15H,2,6,8-10,12H2,1,3-5H3
InChIKeySHHAUORMGFNTDX-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-(Methoxymethyl)allyl)-1-vinylcyclopropane
CID 56851659
1,1-Dimethyl-2-(2-methylprop-1-enyl)-3-(prop-2-enoxymethyl)cyclopropane
CID 70432376
2-[(4,4-Dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene
CID 140841138

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane?
The IUPAC name of 1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane (CID 102580724) is 1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane?
The canonical SMILES for 1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane is C=CCOCC1C(=C=C(C)CCCC)C1(C)C.
What is the InChIKey of 1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane?
The InChIKey is SHHAUORMGFNTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-6-8-9-13(3)11-14-15(16(14,4)5)12-17-10-7-2/h7,15H,2,6,8-10,12H2,1,3-5H3.
What are the key properties of 1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane?
1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane has a molecular weight of 234.38 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(2-methylhex-1-enylidene)-3-(prop-2-enoxymethyl)cyclopropane is sourced from PubChem (CID 102580724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).