cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol

C8H16O2 — CID 95240890

IUPACcis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C1(C)C
InChIInChI=1S/C8H16O2/c1-4-10-7-5-6(9)8(7,2)3/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeySNZVOCZNCMCBKA-NKWVEPMBSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds2

About cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol

cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol (PubChem CID 95240890) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol
PubChem CID95240890
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namecis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C1(C)C
InChIInChI=1S/C8H16O2/c1-4-10-7-5-6(9)8(7,2)3/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeySNZVOCZNCMCBKA-NKWVEPMBSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2,2-diethylcyclobutan-1-ol
CID 64569995
(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
CID 95396494
1-(3-ethoxy-2,2-dimethylcyclobutyl)ethanol
CID 130713079
3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol
CID 103176134
(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300110
(1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300107
(1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 95396425
3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine
CID 114158581
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol
CID 64850719
bis(3-ethoxy-2,2-dimethylcyclobutyl) hexanedioate
CID 154165375
3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol
CID 66345232
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol (CID 95240890) is cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol is CCO[C@@H]1C[C@H](O)C1(C)C.
What is the InChIKey of cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol?
The InChIKey is SNZVOCZNCMCBKA-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-10-7-5-6(9)8(7,2)3/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol?
cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 95240890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).