1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene

C18H20 — CID 163606470

IUPAC1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene
SMILESC=C(C)c1c(C(=C)C)c(C)c2ccccc2c1C
InChIInChI=1S/C18H20/c1-11(2)17-13(5)15-9-7-8-10-16(15)14(6)18(17)12(3)4/h7-10H,1,3H2,2,4-6H3
InChIKeyHCFYRHXQMRTAHS-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.52
Rot. Bonds2

About 1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene

1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene (PubChem CID 163606470) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene.

Molecular Properties

Compound Name1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene
PubChem CID163606470
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene
SMILESC=C(C)c1c(C(=C)C)c(C)c2ccccc2c1C
InChIInChI=1S/C18H20/c1-11(2)17-13(5)15-9-7-8-10-16(15)14(6)18(17)12(3)4/h7-10H,1,3H2,2,4-6H3
InChIKeyHCFYRHXQMRTAHS-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene?
The IUPAC name of 1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene (CID 163606470) is 1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene.
What is the SMILES notation for 1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene?
The canonical SMILES for 1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene is C=C(C)c1c(C(=C)C)c(C)c2ccccc2c1C.
What is the InChIKey of 1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene?
The InChIKey is HCFYRHXQMRTAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-11(2)17-13(5)15-9-7-8-10-16(15)14(6)18(17)12(3)4/h7-10H,1,3H2,2,4-6H3.
What are the key properties of 1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene?
1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene has a molecular weight of 236.36 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene is sourced from PubChem (CID 163606470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).