(1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane

C12H20O — CID 130238691

IUPAC(1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane
SMILESCCOCC1C2CC3CC2C[C@H]1C3
InChIInChI=1S/C12H20O/c1-2-13-7-12-10-4-8-3-9(6-10)11(12)5-8/h8-12H,2-7H2,1H3/t8?,9?,10-,11?,12?/m1/s1
InChIKeyZEIUFNQFGKDAHF-JWUQVZSFSA-N
MW180.29 g/mol
LogP2.71
Rot. Bonds3

About (1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane

(1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane (PubChem CID 130238691) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane.

Molecular Properties

Compound Name(1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane
PubChem CID130238691
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane
SMILESCCOCC1C2CC3CC2C[C@H]1C3
InChIInChI=1S/C12H20O/c1-2-13-7-12-10-4-8-3-9(6-10)11(12)5-8/h8-12H,2-7H2,1H3/t8?,9?,10-,11?,12?/m1/s1
InChIKeyZEIUFNQFGKDAHF-JWUQVZSFSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(ethoxymethyl)bicyclo[2.2.1]heptane
CID 91410594
1,2-bis(ethoxymethyl)-3,5-dimethylcyclohexane
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(3S,4S)-3,4-bis(ethoxymethyl)tricyclo[4.2.1.02,5]non-7-ene
CID 71024240
ethane;2-ethyladamantane
CID 91302679
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
2-tricyclo[3.3.1.03,7]nonanyl propanoate
CID 163562910
CID 135083812
CID 135083812
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 118463335
cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride
CID 135324600
6-(ethoxymethyl)-2-methyl-3-azabicyclo[3.1.0]hexane
CID 68804917

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane?
The IUPAC name of (1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane (CID 130238691) is (1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane.
What is the SMILES notation for (1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane?
The canonical SMILES for (1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane is CCOCC1C2CC3CC2C[C@H]1C3.
What is the InChIKey of (1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane?
The InChIKey is ZEIUFNQFGKDAHF-JWUQVZSFSA-N. The full InChI is InChI=1S/C12H20O/c1-2-13-7-12-10-4-8-3-9(6-10)11(12)5-8/h8-12H,2-7H2,1H3/t8?,9?,10-,11?,12?/m1/s1.
What are the key properties of (1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane?
(1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane has a molecular weight of 180.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(ethoxymethyl)tricyclo[3.3.1.03,7]nonane is sourced from PubChem (CID 130238691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).