formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)

C21H38O3 — CID 174915941

IUPACformaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
SMILESC=O.CC1(C)[C@@H]2CC[C@]1(C)[C@@H](O)C2.CC1(C)[C@@H]2CC[C@]1(C)[C@@H](O)C2
InChIInChI=1S/2C10H18O.CH2O/c2*1-9(2)7-4-5-10(9,3)8(11)6-7;1-2/h2*7-8,11H,4-6H2,1-3H3;1H2/t2*7-,8+,10-;/m11./s1
InChIKeyDSWZDLVJYXSHRT-VZGBPEMMSA-N
MW338.53 g/mol
LogP4.20
Rot. Bonds

About formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)

formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol) (PubChem CID 174915941) has the molecular formula C21H38O3 and a molecular weight of 338.53 g/mol. Its IUPAC name is formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol).

Molecular Properties

Compound Nameformaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
PubChem CID174915941
Molecular FormulaC21H38O3
Molecular Weight338.53 g/mol
Exact Mass338.28
IUPAC Nameformaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
SMILESC=O.CC1(C)[C@@H]2CC[C@]1(C)[C@@H](O)C2.CC1(C)[C@@H]2CC[C@]1(C)[C@@H](O)C2
InChIInChI=1S/2C10H18O.CH2O/c2*1-9(2)7-4-5-10(9,3)8(11)6-7;1-2/h2*7-8,11H,4-6H2,1-3H3;1H2/t2*7-,8+,10-;/m11./s1
InChIKeyDSWZDLVJYXSHRT-VZGBPEMMSA-N
XLogP4.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-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

hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175476100
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458
oxolane-2,5-dione;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174877215
methyl prop-2-enoate;(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174921390
(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 135369493
octanoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175142165
butane-1,4-diol;4-oxopentanoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175441647
3-phenylprop-2-enoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 67727092

Frequently Asked Questions

What is the IUPAC name of formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)?
The IUPAC name of formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol) (CID 174915941) is formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol).
What is the SMILES notation for formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)?
The canonical SMILES for formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol) is C=O.CC1(C)[C@@H]2CC[C@]1(C)[C@@H](O)C2.CC1(C)[C@@H]2CC[C@]1(C)[C@@H](O)C2.
What is the InChIKey of formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)?
The InChIKey is DSWZDLVJYXSHRT-VZGBPEMMSA-N. The full InChI is InChI=1S/2C10H18O.CH2O/c2*1-9(2)7-4-5-10(9,3)8(11)6-7;1-2/h2*7-8,11H,4-6H2,1-3H3;1H2/t2*7-,8+,10-;/m11./s1.
What are the key properties of formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)?
formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol) has a molecular weight of 338.53 g/mol, XLogP of 4.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol) is sourced from PubChem (CID 174915941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).