[5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate

C17H26O2 — CID 23425312

IUPAC[5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate
SMILESC=CC(C)(CCC1C(=C)C(C)CC=C1C)OC(C)=O
InChIInChI=1S/C17H26O2/c1-7-17(6,19-15(5)18)11-10-16-13(3)9-8-12(2)14(16)4/h7,9,12,16H,1,4,8,10-11H2,2-3,5-6H3
InChIKeyAIIUTRVNHVTBEP-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.43
Rot. Bonds5

About [5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate

[5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate (PubChem CID 23425312) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate.

Molecular Properties

Compound Name[5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate
PubChem CID23425312
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate
SMILESC=CC(C)(CCC1C(=C)C(C)CC=C1C)OC(C)=O
InChIInChI=1S/C17H26O2/c1-7-17(6,19-15(5)18)11-10-16-13(3)9-8-12(2)14(16)4/h7,9,12,16H,1,4,8,10-11H2,2-3,5-6H3
InChIKeyAIIUTRVNHVTBEP-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.43
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

3,7-dimethylocta-1,6-dien-3-yl acetate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 174813081
[(3R)-5-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]-3-methylpent-1-en-3-yl] acetate
CID 92855270
[(3R)-5-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3-methylpent-1-en-3-yl] acetate
CID 92855269
3,6-dimethylhept-1-en-3-yl acetate
CID 154263841
(3,7-dimethyl-6-oxoocta-1,7-dien-3-yl) acetate
CID 78065069
[(2S,3R,4R,5S,6S)-2-[(3R)-5-[(4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
CID 11092022
3,7-dimethylocta-1,6-dien-3-yl acetate;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22134021
(4-tert-butylcyclohexyl) acetate;3,7-dimethylocta-1,6-dien-3-yl acetate
CID 69389198
[(2R,3R,4S,4aS,8aR)-4-[(3S)-3-acetyloxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-6-oxo-2,3,4a,5-tetrahydro-1H-naphthalen-2-yl] acetate
CID 163061983
(3,7-dimethyl-6-nitroocta-1,7-dien-3-yl) acetate
CID 15102946
(4aS,8R,8aS)-8-[(3S)-3-methoxy-3-methylpent-4-enyl]-4,4,7,8a-tetramethyl-1,2,3,4a,5,8-hexahydronaphthalene
CID 134785769
[5-(2-acetyloxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] acetate
CID 10083656

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate?
The IUPAC name of [5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate (CID 23425312) is [5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate.
What is the SMILES notation for [5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate?
The canonical SMILES for [5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate is C=CC(C)(CCC1C(=C)C(C)CC=C1C)OC(C)=O.
What is the InChIKey of [5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate?
The InChIKey is AIIUTRVNHVTBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-7-17(6,19-15(5)18)11-10-16-13(3)9-8-12(2)14(16)4/h7,9,12,16H,1,4,8,10-11H2,2-3,5-6H3.
What are the key properties of [5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate?
[5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate has a molecular weight of 262.39 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl)-3-methylpent-1-en-3-yl] acetate is sourced from PubChem (CID 23425312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).