6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate

C16H26O2 — CID 70552607

IUPAC6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate
SMILESO=C(OCCCCCCC1C=CCCC1)C1CC1
InChIInChI=1S/C16H26O2/c17-16(15-11-12-15)18-13-7-2-1-4-8-14-9-5-3-6-10-14/h5,9,14-15H,1-4,6-8,10-13H2
InChIKeyIZOHASQUEAKQAT-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.25
Rot. Bonds8

About 6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate

6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate (PubChem CID 70552607) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate.

Molecular Properties

Compound Name6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate
PubChem CID70552607
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate
SMILESO=C(OCCCCCCC1C=CCCC1)C1CC1
InChIInChI=1S/C16H26O2/c17-16(15-11-12-15)18-13-7-2-1-4-8-14-9-5-3-6-10-14/h5,9,14-15H,1-4,6-8,10-13H2
InChIKeyIZOHASQUEAKQAT-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene
CID 134966711
(3R)-3-hexylcyclohexene
CID 144775192
4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide
CID 143238683
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
13-[(1R)-cyclopent-2-en-1-yl]tridecanamide
CID 141290555
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
(3S)-3-(7-methoxyheptyl)cyclopentene
CID 57194147
nonyl cyclopentanecarboxylate
CID 575427
1-O-(11-methyldodecyl) 4-O-(5-methylhexyl) cyclohexane-1,4-dicarboxylate
CID 91005535
nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892346
8-(3,4-dihydroxycyclohexyl)octyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 59015366

Frequently Asked Questions

What is the IUPAC name of 6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate?
The IUPAC name of 6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate (CID 70552607) is 6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate.
What is the SMILES notation for 6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate?
The canonical SMILES for 6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate is O=C(OCCCCCCC1C=CCCC1)C1CC1.
What is the InChIKey of 6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate?
The InChIKey is IZOHASQUEAKQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c17-16(15-11-12-15)18-13-7-2-1-4-8-14-9-5-3-6-10-14/h5,9,14-15H,1-4,6-8,10-13H2.
What are the key properties of 6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate?
6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate has a molecular weight of 250.38 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate is sourced from PubChem (CID 70552607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).