2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one

C17H30O2 — CID 102185075

IUPAC2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one
SMILESCCCCCC[C@H]1CCC[C@@H](C2CCCCC2=O)O1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-9-14-10-8-13-17(19-14)15-11-6-7-12-16(15)18/h14-15,17H,2-13H2,1H3/t14-,15?,17-/m0/s1
InChIKeyFTEIGODEUULNNI-AYWPPYMVSA-N
MW266.42 g/mol
LogP4.65
Rot. Bonds6

About 2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one

2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one (PubChem CID 102185075) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one
PubChem CID102185075
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one
SMILESCCCCCC[C@H]1CCC[C@@H](C2CCCCC2=O)O1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-9-14-10-8-13-17(19-14)15-11-6-7-12-16(15)18/h14-15,17H,2-13H2,1H3/t14-,15?,17-/m0/s1
InChIKeyFTEIGODEUULNNI-AYWPPYMVSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-nonylcyclododecan-1-one
CID 14296722
(2R)-2-pentylcyclohexan-1-one
CID 86310435
8-octyloxocan-2-one
CID 90108064
carbon monoxide;cobalt;2-hexylcyclohexan-1-one
CID 134877528
2-decylcyclopentan-1-one
CID 12823821
(3S,4aR,8aR)-3-hexyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine
CID 162408125
6-icosyloxan-2-one
CID 100966702
2-octylcyclohexane-1,3-dione
CID 102322610
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
7-hexyloxepane-2-thione
CID 134893057
formic acid;2-pentylcyclohexan-1-one
CID 174877274
hexyl-methyl-[6-(2-oxocyclohexyl)hexyl]sulfanium
CID 151800654

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one (CID 102185075) is 2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one is CCCCCC[C@H]1CCC[C@@H](C2CCCCC2=O)O1.
What is the InChIKey of 2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one?
The InChIKey is FTEIGODEUULNNI-AYWPPYMVSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-3-4-5-9-14-10-8-13-17(19-14)15-11-6-7-12-16(15)18/h14-15,17H,2-13H2,1H3/t14-,15?,17-/m0/s1.
What are the key properties of 2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one?
2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one has a molecular weight of 266.42 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-6-hexyloxan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 102185075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).