2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane

C18H30 — CID 123524666

IUPAC2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane
SMILESCC1CCC1C1(C)C2CCC13C(C)C3(C)C2(C)C
InChIInChI=1S/C18H30/c1-11-7-8-13(11)16(5)14-9-10-18(16)12(2)17(18,6)15(14,3)4/h11-14H,7-10H2,1-6H3
InChIKeyVRTPKKDTTIBIAP-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.13
Rot. Bonds1

About 2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane

2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane (PubChem CID 123524666) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane.

Molecular Properties

Compound Name2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane
PubChem CID123524666
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane
SMILESCC1CCC1C1(C)C2CCC13C(C)C3(C)C2(C)C
InChIInChI=1S/C18H30/c1-11-7-8-13(11)16(5)14-9-10-18(16)12(2)17(18,6)15(14,3)4/h11-14H,7-10H2,1-6H3
InChIKeyVRTPKKDTTIBIAP-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane?
The IUPAC name of 2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane (CID 123524666) is 2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane.
What is the SMILES notation for 2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane?
The canonical SMILES for 2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane is CC1CCC1C1(C)C2CCC13C(C)C3(C)C2(C)C.
What is the InChIKey of 2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane?
The InChIKey is VRTPKKDTTIBIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-11-7-8-13(11)16(5)14-9-10-18(16)12(2)17(18,6)15(14,3)4/h11-14H,7-10H2,1-6H3.
What are the key properties of 2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane?
2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane has a molecular weight of 246.44 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane is sourced from PubChem (CID 123524666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).