3-ethyl-1-methoxyspiro[3.3]heptan-3-ol

C10H18O2 — CID 130681732

IUPAC3-ethyl-1-methoxyspiro[3.3]heptan-3-ol
SMILESCCC1(O)CC(OC)C12CCC2
InChIInChI=1S/C10H18O2/c1-3-10(11)7-8(12-2)9(10)5-4-6-9/h8,11H,3-7H2,1-2H3
InChIKeyPQTFCCMDNSJZTQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.72
Rot. Bonds2

About 3-ethyl-1-methoxyspiro[3.3]heptan-3-ol

3-ethyl-1-methoxyspiro[3.3]heptan-3-ol (PubChem CID 130681732) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-ethyl-1-methoxyspiro[3.3]heptan-3-ol.

Molecular Properties

Compound Name3-ethyl-1-methoxyspiro[3.3]heptan-3-ol
PubChem CID130681732
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-ethyl-1-methoxyspiro[3.3]heptan-3-ol
SMILESCCC1(O)CC(OC)C12CCC2
InChIInChI=1S/C10H18O2/c1-3-10(11)7-8(12-2)9(10)5-4-6-9/h8,11H,3-7H2,1-2H3
InChIKeyPQTFCCMDNSJZTQ-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol
CID 130697809
2-methoxy-1-pentylcyclohexan-1-ol
CID 106873594
N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-1-hydroxycyclobutane-1-carboxamide
CID 99778007
7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane
CID 130655634
trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 98010257
2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde
CID 106875208
11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one
CID 130655238
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol
CID 106874852
3-methoxy-1-nonylcyclohexan-1-ol
CID 106873856
2-methoxy-1,1-dimethylcyclobutane
CID 58806257
2-(1-hydroxy-2-methoxycyclohexyl)hexanoic acid
CID 106874319
1-tert-butyl-2-methoxycyclobutan-1-ol
CID 172542589

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methoxyspiro[3.3]heptan-3-ol?
The IUPAC name of 3-ethyl-1-methoxyspiro[3.3]heptan-3-ol (CID 130681732) is 3-ethyl-1-methoxyspiro[3.3]heptan-3-ol.
What is the SMILES notation for 3-ethyl-1-methoxyspiro[3.3]heptan-3-ol?
The canonical SMILES for 3-ethyl-1-methoxyspiro[3.3]heptan-3-ol is CCC1(O)CC(OC)C12CCC2.
What is the InChIKey of 3-ethyl-1-methoxyspiro[3.3]heptan-3-ol?
The InChIKey is PQTFCCMDNSJZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-10(11)7-8(12-2)9(10)5-4-6-9/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-1-methoxyspiro[3.3]heptan-3-ol?
3-ethyl-1-methoxyspiro[3.3]heptan-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxyspiro[3.3]heptan-3-ol is sourced from PubChem (CID 130681732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).