1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol

C18H34O2 — CID 21361769

IUPAC1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol
SMILESCCOCCCC(O)CCCC1CC2CC1C(C)C2C
InChIInChI=1S/C18H34O2/c1-4-20-10-6-9-17(19)8-5-7-15-11-16-12-18(15)14(3)13(16)2/h13-19H,4-12H2,1-3H3
InChIKeyWOYGBKUBFBTHQF-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.26
Rot. Bonds9

About 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol

1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol (PubChem CID 21361769) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol.

Molecular Properties

Compound Name1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol
PubChem CID21361769
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol
SMILESCCOCCCC(O)CCCC1CC2CC1C(C)C2C
InChIInChI=1S/C18H34O2/c1-4-20-10-6-9-17(19)8-5-7-15-11-16-12-18(15)14(3)13(16)2/h13-19H,4-12H2,1-3H3
InChIKeyWOYGBKUBFBTHQF-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol
CID 23405415
2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl-triethoxysilane
CID 21018762
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560908
14-ethoxytetradecane-1,3-diol
CID 57222760
2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid
CID 81009121
2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde
CID 175620822
actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol)
CID 158040391
1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90715549
2-[4-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)butyl]-2-propan-2-yl-1,3-dioxane
CID 23560957
1-cyclopentylheptan-4-ol
CID 64516527
1-chloro-2-(3-ethoxypropyl)-4-methylcyclohexane
CID 65180902
2-(3-ethoxypropyl)cycloheptan-1-amine
CID 65180588

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol?
The IUPAC name of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol (CID 21361769) is 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol.
What is the SMILES notation for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol?
The canonical SMILES for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol is CCOCCCC(O)CCCC1CC2CC1C(C)C2C.
What is the InChIKey of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol?
The InChIKey is WOYGBKUBFBTHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-20-10-6-9-17(19)8-5-7-15-11-16-12-18(15)14(3)13(16)2/h13-19H,4-12H2,1-3H3.
What are the key properties of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol?
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol has a molecular weight of 282.47 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol is sourced from PubChem (CID 21361769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).