(1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol

C12H22O2 — CID 163195673

IUPAC(1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol
SMILESCCOCC1=C[C@@H](O)[C@@H](C(C)C)CC1
InChIInChI=1S/C12H22O2/c1-4-14-8-10-5-6-11(9(2)3)12(13)7-10/h7,9,11-13H,4-6,8H2,1-3H3/t11-,12-/m1/s1
InChIKeyYSMYZFVSWMMGCH-VXGBXAGGSA-N
MW198.31 g/mol
LogP2.38
Rot. Bonds4

About (1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol

(1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 163195673) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol
PubChem CID163195673
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol
SMILESCCOCC1=C[C@@H](O)[C@@H](C(C)C)CC1
InChIInChI=1S/C12H22O2/c1-4-14-8-10-5-6-11(9(2)3)12(13)7-10/h7,9,11-13H,4-6,8H2,1-3H3/t11-,12-/m1/s1
InChIKeyYSMYZFVSWMMGCH-VXGBXAGGSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sobrerol
CID 91463
p-Menth-1-en-3-ol
CID 10282
cis-Piperitol
CID 85567
(1S,6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-ol
CID 12314336
trans-Sobrerol
CID 854498
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-
CID 85568
4-(2-Hydroxy-2-propyl)cyclohexene-1-methanol
CID 110662
2,10-Bisaboladiene-1,4-diol
CID 131752167
Sobrepin
CID 36089
p-Menth-6-en-2-ol, (2S,4S)-(+)-
CID 534485
(-)-Oleuropeyl alcohol
CID 44566704
(1S-trans)-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
CID 854499

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol (CID 163195673) is (1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol is CCOCC1=C[C@@H](O)[C@@H](C(C)C)CC1.
What is the InChIKey of (1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is YSMYZFVSWMMGCH-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-14-8-10-5-6-11(9(2)3)12(13)7-10/h7,9,11-13H,4-6,8H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol?
(1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 163195673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).