cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde

C11H20O2 — CID 59005351

IUPACcis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde
SMILESCC(C)(O)CCC[C@]1(C)C[C@H]1C=O
InChIInChI=1S/C11H20O2/c1-10(2,13)5-4-6-11(3)7-9(11)8-12/h8-9,13H,4-7H2,1-3H3/t9-,11+/m0/s1
InChIKeyLVHXNHBYNGICQP-GXSJLCMTSA-N
MW184.28 g/mol
LogP2.15
Rot. Bonds5

About cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde

cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde (PubChem CID 59005351) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde
PubChem CID59005351
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namecis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde
SMILESCC(C)(O)CCC[C@]1(C)C[C@H]1C=O
InChIInChI=1S/C11H20O2/c1-10(2,13)5-4-6-11(3)7-9(11)8-12/h8-9,13H,4-7H2,1-3H3/t9-,11+/m0/s1
InChIKeyLVHXNHBYNGICQP-GXSJLCMTSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.15
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

Hydroxycitronellal
CID 7888
(S)-7-hydroxy-3,7-dimethyloctanal
CID 1715134
(r)-7-Hydroxy-3,7-dimethyl-octanal
CID 1550260
1-((1S,3R)-3-(2-hydroxyethyl)-2,2-dimethylcyclopropyl)propan-2-one
CID 13765715
7-Hydroxy-2,3,7-trimethyloctanal
CID 90774
7-Hydroxy-3,7-dimethylnonanal
CID 122555
14,14,14-Trifluoro-13-hydroxy-2,5,5,6,6,9,9,10,10,13-decamethyltetradecanal
CID 175222020
2,4,8,8,8-Pentadeuterio-7-(deuteriomethyl)-7-hydroxy-3-methyloctanal
CID 87607493
6-Hydroxy-2,2,6-trimethylundecanal
CID 89123986
9-Hydroxy-9-methylundecanal
CID 121396009
2-Butyl-4-hydroxy-5,6,6-trimethylheptanal
CID 123283473
2-(2-Hydroxypropan-2-yl)heptanal
CID 162697616

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde (CID 59005351) is cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde is CC(C)(O)CCC[C@]1(C)C[C@H]1C=O.
What is the InChIKey of cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde?
The InChIKey is LVHXNHBYNGICQP-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2,13)5-4-6-11(3)7-9(11)8-12/h8-9,13H,4-7H2,1-3H3/t9-,11+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde?
cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 59005351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).