cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate

C10H18O3 — CID 165351670

IUPACcis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate
SMILESCCCCOC(=O)[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C10H18O3/c1-2-3-6-13-10(12)8-4-5-9(11)7-8/h8-9,11H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyPIQNTMWYJNKKBL-BDAKNGLRSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds4

About cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate

cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate (PubChem CID 165351670) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate
PubChem CID165351670
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate
SMILESCCCCOC(=O)[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C10H18O3/c1-2-3-6-13-10(12)8-4-5-9(11)7-8/h8-9,11H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyPIQNTMWYJNKKBL-BDAKNGLRSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecyl 3-hydroxycyclohexane-1-carboxylate
CID 71033477
1-O,2-O-dibutyl 4-O-octadecyl cyclohexane-1,2,4-tricarboxylate
CID 151068653
3-O-butyl 1-O-pentyl cyclohexane-1,3-dicarboxylate
CID 66984581
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
propyl 4-hydroxycyclohexane-1-carboxylate
CID 71338866
pentadecyl cyclopropanecarboxylate
CID 560133
cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323832
3-O-butyl 1-O-octyl cyclohexane-1,3-dicarboxylate
CID 66983586
3-O-butyl 1-O-decyl cyclohexane-1,3-dicarboxylate
CID 66983365
butyl 4-carbonofluoridoylcyclohexane-1-carboxylate
CID 155468002
4-[4-(4-butoxycarbonylcyclohexanecarbonyl)oxybutoxycarbonyl]cyclohexane-1-carboxylic acid
CID 118066352
butyl 3-acetylcyclohexane-1-carboxylate
CID 22123713

Frequently Asked Questions

What is the IUPAC name of cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate?
The IUPAC name of cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate (CID 165351670) is cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate is CCCCOC(=O)[C@@H]1CC[C@H](O)C1.
What is the InChIKey of cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate?
The InChIKey is PIQNTMWYJNKKBL-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-6-13-10(12)8-4-5-9(11)7-8/h8-9,11H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate?
cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 165351670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).