1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde

C11H18O2 — CID 131166496

IUPAC1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde
SMILESO=CC1(CC2CCCCC2O)CC1
InChIInChI=1S/C11H18O2/c12-8-11(5-6-11)7-9-3-1-2-4-10(9)13/h8-10,13H,1-7H2
InChIKeyYCQKYOUOILDNGR-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.91
Rot. Bonds3

About 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde

1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde (PubChem CID 131166496) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde
PubChem CID131166496
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde
SMILESO=CC1(CC2CCCCC2O)CC1
InChIInChI=1S/C11H18O2/c12-8-11(5-6-11)7-9-3-1-2-4-10(9)13/h8-10,13H,1-7H2
InChIKeyYCQKYOUOILDNGR-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexylmethyl)cyclopropane-1-carbaldehyde
CID 130729334
1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-sulfonyl chloride
CID 165490453
2-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 93495946
1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 81168615
1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde
CID 130664231
2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
CID 22800145
4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde
CID 102636939
2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol
CID 65211425
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 115448612
trans-(1R,2R)-2-(2-methylprop-2-enyl)cyclohexan-1-ol
CID 71351318
cis-(1R,2S)-2-(2-hydroxyethyl)cyclohexan-1-ol
CID 71357650
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde (CID 131166496) is 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde is O=CC1(CC2CCCCC2O)CC1.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde?
The InChIKey is YCQKYOUOILDNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-8-11(5-6-11)7-9-3-1-2-4-10(9)13/h8-10,13H,1-7H2.
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde?
1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde has a molecular weight of 182.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 131166496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).