cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane

C9H16O2 — CID 101103845

IUPACcis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane
SMILESC=C(C)[C@@H]1CCC[C@H](OO)C1
InChIInChI=1S/C9H16O2/c1-7(2)8-4-3-5-9(6-8)11-10/h8-10H,1,3-6H2,2H3/t8-,9+/m1/s1
InChIKeyZGPGNMIQDLYACX-BDAKNGLRSA-N
MW156.22 g/mol
LogP2.61
Rot. Bonds2

About cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane

cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane (PubChem CID 101103845) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Namecis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane
PubChem CID101103845
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namecis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane
SMILESC=C(C)[C@@H]1CCC[C@H](OO)C1
InChIInChI=1S/C9H16O2/c1-7(2)8-4-3-5-9(6-8)11-10/h8-10H,1,3-6H2,2H3/t8-,9+/m1/s1
InChIKeyZGPGNMIQDLYACX-BDAKNGLRSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-Methylidene-5-(prop-1-en-2-yl)cyclohexan-1-ol
CID 527427
Cyclohexanol, 2-methylene-5-(1-methylethenyl)-, (1S-cis)-
CID 12642439
cis-p-Mentha-1(7),8-dien-2-ol
CID 6429040
trans-1(7),8-p-Menthadien-2-ol
CID 6428442
(E)-p-mentha-1(7),8-dien-2-hydroperoxide
CID 10103548
(2S,4S)-2-hydroperoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
CID 636730
FT-0671749
CID 11400874
2-Methylidene-5-(prop-1-EN-2-YL)cyclohexane-1-peroxol
CID 564367
cis-1(7),8-p-Menthadien-2-ol
CID 6428440
2-Hydroxy-4-isopropenylcyclohexane
CID 58534577
1,2-Dihydroperoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 87195530
1-Hydroperoxy-1-methoxy-3-(2-methylprop-2-enyl)cyclohexane
CID 10910541

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane?
The IUPAC name of cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane (CID 101103845) is cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane?
The canonical SMILES for cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane is C=C(C)[C@@H]1CCC[C@H](OO)C1.
What is the InChIKey of cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane?
The InChIKey is ZGPGNMIQDLYACX-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)8-4-3-5-9(6-8)11-10/h8-10H,1,3-6H2,2H3/t8-,9+/m1/s1.
What are the key properties of cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane?
cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane has a molecular weight of 156.22 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1-hydroperoxy-3-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 101103845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).