1-hydroxycyclohexane-1-carbaldehyde;styrene

C15H20O2 — CID 174375835

IUPAC1-hydroxycyclohexane-1-carbaldehyde;styrene
SMILESC=Cc1ccccc1.O=CC1(O)CCCCC1
InChIInChI=1S/C8H8.C7H12O2/c1-2-8-6-4-3-5-7-8;8-6-7(9)4-2-1-3-5-7/h2-7H,1H2;6,9H,1-5H2
InChIKeyCCQAOZXHUWXBEG-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.21
Rot. Bonds2

About 1-hydroxycyclohexane-1-carbaldehyde;styrene

1-hydroxycyclohexane-1-carbaldehyde;styrene (PubChem CID 174375835) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-hydroxycyclohexane-1-carbaldehyde;styrene.

Molecular Properties

Compound Name1-hydroxycyclohexane-1-carbaldehyde;styrene
PubChem CID174375835
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-hydroxycyclohexane-1-carbaldehyde;styrene
SMILESC=Cc1ccccc1.O=CC1(O)CCCCC1
InChIInChI=1S/C8H8.C7H12O2/c1-2-8-6-4-3-5-7-8;8-6-7(9)4-2-1-3-5-7/h2-7H,1H2;6,9H,1-5H2
InChIKeyCCQAOZXHUWXBEG-UHFFFAOYSA-N
XLogP3.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxycyclohexane-1-carbaldehyde;styrene?
The IUPAC name of 1-hydroxycyclohexane-1-carbaldehyde;styrene (CID 174375835) is 1-hydroxycyclohexane-1-carbaldehyde;styrene.
What is the SMILES notation for 1-hydroxycyclohexane-1-carbaldehyde;styrene?
The canonical SMILES for 1-hydroxycyclohexane-1-carbaldehyde;styrene is C=Cc1ccccc1.O=CC1(O)CCCCC1.
What is the InChIKey of 1-hydroxycyclohexane-1-carbaldehyde;styrene?
The InChIKey is CCQAOZXHUWXBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H12O2/c1-2-8-6-4-3-5-7-8;8-6-7(9)4-2-1-3-5-7/h2-7H,1H2;6,9H,1-5H2.
What are the key properties of 1-hydroxycyclohexane-1-carbaldehyde;styrene?
1-hydroxycyclohexane-1-carbaldehyde;styrene has a molecular weight of 232.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxycyclohexane-1-carbaldehyde;styrene is sourced from PubChem (CID 174375835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).