1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol

C11H20O2 — CID 103170113

IUPAC1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol
SMILESC=C(C)C(O)CC1CC(OCC)C1
InChIInChI=1S/C11H20O2/c1-4-13-10-5-9(6-10)7-11(12)8(2)3/h9-12H,2,4-7H2,1,3H3
InChIKeyKDQVRJIHGNWRJW-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds5

About 1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol

1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol (PubChem CID 103170113) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol
PubChem CID103170113
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol
SMILESC=C(C)C(O)CC1CC(OCC)C1
InChIInChI=1S/C11H20O2/c1-4-13-10-5-9(6-10)7-11(12)8(2)3/h9-12H,2,4-7H2,1,3H3
InChIKeyKDQVRJIHGNWRJW-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Octene-1,6-diol, 3,7-dimethyl-
CID 90790
3,7-Dimethyloct-7-ene-2,6-diol
CID 90936137
2,6-Dimethylhept-6-ene-1,5-diol
CID 129754691
(3R)-3,7-dimethyloct-7-ene-1,6-diol
CID 21309200
(2S,3S,4S,5R)-2,4,6-trimethylhept-6-ene-1,3,5-triol
CID 46210140
(6S)-3,7-dimethyloct-7-ene-1,6-diol
CID 53900144
(2S,3S,4R,5S)-2,4,6-trimethylhept-6-ene-1,3,5-triol
CID 59891825
2,4,6-Trimethylhept-6-ene-1,3,5-triol
CID 75149242
(S)-3,7-dimethyl-6-hydroxy-7-octene-1-ol
CID 86751364
3,7-Dimethylocta-1,7-diene-2,6-diol
CID 87515747
(2R,3S,4S,5R)-2,4,6-trimethylhept-6-ene-1,3,5-triol
CID 89028757
(4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol
CID 89086975

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol?
The IUPAC name of 1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol (CID 103170113) is 1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol is C=C(C)C(O)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol?
The InChIKey is KDQVRJIHGNWRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-13-10-5-9(6-10)7-11(12)8(2)3/h9-12H,2,4-7H2,1,3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol?
1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-3-methylbut-3-en-2-ol is sourced from PubChem (CID 103170113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).