7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene

C18H26 — CID 147281532

IUPAC7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene
SMILESCCC(C)C12CC1(C)C(C)C(C)c1ccccc12
InChIInChI=1S/C18H26/c1-6-12(2)18-11-17(18,5)14(4)13(3)15-9-7-8-10-16(15)18/h7-10,12-14H,6,11H2,1-5H3
InChIKeyCSJYTDZXJOPDDR-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.13
Rot. Bonds2

About 7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene

7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene (PubChem CID 147281532) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene.

Molecular Properties

Compound Name7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene
PubChem CID147281532
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene
SMILESCCC(C)C12CC1(C)C(C)C(C)c1ccccc12
InChIInChI=1S/C18H26/c1-6-12(2)18-11-17(18,5)14(4)13(3)15-9-7-8-10-16(15)18/h7-10,12-14H,6,11H2,1-5H3
InChIKeyCSJYTDZXJOPDDR-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene?
The IUPAC name of 7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene (CID 147281532) is 7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene.
What is the SMILES notation for 7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene?
The canonical SMILES for 7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene is CCC(C)C12CC1(C)C(C)C(C)c1ccccc12.
What is the InChIKey of 7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene?
The InChIKey is CSJYTDZXJOPDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-6-12(2)18-11-17(18,5)14(4)13(3)15-9-7-8-10-16(15)18/h7-10,12-14H,6,11H2,1-5H3.
What are the key properties of 7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene?
7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene has a molecular weight of 242.41 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7b-butan-2-yl-1a,2,3-trimethyl-2,3-dihydro-1H-cyclopropa[a]naphthalene is sourced from PubChem (CID 147281532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).