4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane

C22H32O — CID 146891115

IUPAC4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC(OC1CC2CC1C1C3CCC(C3)C21)C12CC3CC1CC3C2
InChIInChI=1S/C22H32O/c1-11(22-9-15-5-17(22)6-16(15)10-22)23-19-8-14-7-18(19)21-13-3-2-12(4-13)20(14)21/h11-21H,2-10H2,1H3
InChIKeySZRPBAXFNFUWTF-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.90
Rot. Bonds3

About 4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane

4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 146891115) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is 4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID146891115
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Name4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC(OC1CC2CC1C1C3CCC(C3)C21)C12CC3CC1CC3C2
InChIInChI=1S/C22H32O/c1-11(22-9-15-5-17(22)6-16(15)10-22)23-19-8-14-7-18(19)21-13-3-2-12(4-13)20(14)21/h11-21H,2-10H2,1H3
InChIKeySZRPBAXFNFUWTF-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate
CID 143448489
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoroacetate
CID 58225942
1-[[(8S)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]oxy]ethyl 4,4-dimethyl-2-propan-2-ylpentanoate
CID 163771828
1-[1-(8-tricyclo[5.2.1.02,6]decanyloxy)ethyl]adamantane
CID 71135606
4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91014732
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate
CID 67964667
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
4-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethylphenoxy)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 140653871
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-(hydroxymethyl)prop-2-enoate
CID 21360355
4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 141155389
(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 130857696

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane (CID 146891115) is 4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane is CC(OC1CC2CC1C1C3CCC(C3)C21)C12CC3CC1CC3C2.
What is the InChIKey of 4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is SZRPBAXFNFUWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O/c1-11(22-9-15-5-17(22)6-16(15)10-22)23-19-8-14-7-18(19)21-13-3-2-12(4-13)20(14)21/h11-21H,2-10H2,1H3.
What are the key properties of 4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane?
4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 312.50 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 146891115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).