cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde

C11H18O2 — CID 131020794

IUPACcis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde
SMILESC=C1CC[C@](C=O)(C(C)C)[C@H](O)C1
InChIInChI=1S/C11H18O2/c1-8(2)11(7-12)5-4-9(3)6-10(11)13/h7-8,10,13H,3-6H2,1-2H3/t10-,11+/m1/s1
InChIKeyTZIVJHYBRMGBQX-MNOVXSKESA-N
MW182.26 g/mol
LogP1.93
Rot. Bonds2

About cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde

cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde (PubChem CID 131020794) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde
PubChem CID131020794
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namecis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde
SMILESC=C1CC[C@](C=O)(C(C)C)[C@H](O)C1
InChIInChI=1S/C11H18O2/c1-8(2)11(7-12)5-4-9(3)6-10(11)13/h7-8,10,13H,3-6H2,1-2H3/t10-,11+/m1/s1
InChIKeyTZIVJHYBRMGBQX-MNOVXSKESA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde?
The IUPAC name of cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde (CID 131020794) is cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde is C=C1CC[C@](C=O)(C(C)C)[C@H](O)C1.
What is the InChIKey of cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde?
The InChIKey is TZIVJHYBRMGBQX-MNOVXSKESA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)11(7-12)5-4-9(3)6-10(11)13/h7-8,10,13H,3-6H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde?
cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde has a molecular weight of 182.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-hydroxy-4-methylidene-1-propan-2-ylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 131020794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).