[2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate

C17H26O2 — CID 162902767

IUPAC[2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate
SMILESC=C1CCC2(C(C)CCC=C(C)COC(C)=O)CC12
InChIInChI=1S/C17H26O2/c1-12(11-19-15(4)18)6-5-7-14(3)17-9-8-13(2)16(17)10-17/h6,14,16H,2,5,7-11H2,1,3-4H3
InChIKeyYAUCRXIHTLRLDU-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.27
Rot. Bonds6

About [2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate

[2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate (PubChem CID 162902767) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate.

Molecular Properties

Compound Name[2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate
PubChem CID162902767
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate
SMILESC=C1CCC2(C(C)CCC=C(C)COC(C)=O)CC12
InChIInChI=1S/C17H26O2/c1-12(11-19-15(4)18)6-5-7-14(3)17-9-8-13(2)16(17)10-17/h6,14,16H,2,5,7-11H2,1,3-4H3
InChIKeyYAUCRXIHTLRLDU-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,6R)-2-methyl-6-[(1S,5S)-4-methylidene-1-bicyclo[3.1.0]hexanyl]hept-2-en-1-ol
CID 24796073
(1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane
CID 91753589
[(E)-2-methyl-5-[(1S,5S,6S)-6-methyl-2-methylidene-6-bicyclo[3.1.1]heptanyl]pent-2-enyl] acetate
CID 162848557
[(E)-5-acetyloxy-4-methylpent-3-enyl] acetate
CID 11310159
2-methyldec-2-enyl acetate
CID 123999734
[(2E,6E)-2,6-dimethylocta-2,6-dienyl] acetate
CID 88547676
[(E,6S)-2-methyl-6-(7-methyl-1,3-benzodioxol-4-yl)hept-2-enyl] acetate
CID 71507544
[(E)-5-acetyloxy-5-[(1R,6S,9S,10S)-6,10-dimethyl-2-methylidene-5-oxo-10-bicyclo[7.2.0]undecanyl]-2-methylpent-2-enyl] acetate
CID 102032674
[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
CID 156682914
[(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate
CID 134942520
(10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate
CID 173356213
[6-(3,15-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enyl] acetate
CID 162883206

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate?
The IUPAC name of [2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate (CID 162902767) is [2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate.
What is the SMILES notation for [2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate?
The canonical SMILES for [2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate is C=C1CCC2(C(C)CCC=C(C)COC(C)=O)CC12.
What is the InChIKey of [2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate?
The InChIKey is YAUCRXIHTLRLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12(11-19-15(4)18)6-5-7-14(3)17-9-8-13(2)16(17)10-17/h6,14,16H,2,5,7-11H2,1,3-4H3.
What are the key properties of [2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate?
[2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate has a molecular weight of 262.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate is sourced from PubChem (CID 162902767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).