cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol

C10H16O2 — CID 130741612

IUPACcis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol
SMILESC=C(C)C1C[C@@H](O)C(=C)[C@@H](O)C1
InChIInChI=1S/C10H16O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h8-12H,1,3-5H2,2H3/t8?,9-,10+
InChIKeyNHJVCWGYXCFQJJ-PBINXNQUSA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds1

About cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol

cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol (PubChem CID 130741612) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol.

Molecular Properties

Compound Namecis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol
PubChem CID130741612
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol
SMILESC=C(C)C1C[C@@H](O)C(=C)[C@@H](O)C1
InChIInChI=1S/C10H16O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h8-12H,1,3-5H2,2H3/t8?,9-,10+
InChIKeyNHJVCWGYXCFQJJ-PBINXNQUSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,3R,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl] acetate
CID 11321770
(1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol
CID 102066424
acetic acid;cis-(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
CID 170839757
[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl] benzoate
CID 102203539
1,3-dimethyl-5-prop-1-en-2-ylcyclohexane
CID 90969258
1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol
CID 162884446
3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane
CID 138718018
(1S,5Z,9S)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-en-1-ol
CID 163074958
5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-ol
CID 71330339
(3S)-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-1,8-diol
CID 11435916
1-(2,2-dimethylpropyl)-3-prop-1-en-2-ylcyclobutane
CID 162407946
(1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol
CID 10266146

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol?
The IUPAC name of cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol (CID 130741612) is cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol.
What is the SMILES notation for cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol?
The canonical SMILES for cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol is C=C(C)C1C[C@@H](O)C(=C)[C@@H](O)C1.
What is the InChIKey of cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol?
The InChIKey is NHJVCWGYXCFQJJ-PBINXNQUSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h8-12H,1,3-5H2,2H3/t8?,9-,10+.
What are the key properties of cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol?
cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol has a molecular weight of 168.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol is sourced from PubChem (CID 130741612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).