1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene

C16H18 — CID 5375405

IUPAC1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene
SMILESC/C=C/c1c(C)c(C)c(C)c2ccccc12
InChIInChI=1S/C16H18/c1-5-8-14-12(3)11(2)13(4)15-9-6-7-10-16(14)15/h5-10H,1-4H3/b8-5+
InChIKeyGIAJIAFLVKUTLY-VMPITWQZSA-N
MW210.32 g/mol
LogP4.80
Rot. Bonds1

About 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene

1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene (PubChem CID 5375405) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene.

Molecular Properties

Compound Name1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene
PubChem CID5375405
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene
SMILESC/C=C/c1c(C)c(C)c(C)c2ccccc12
InChIInChI=1S/C16H18/c1-5-8-14-12(3)11(2)13(4)15-9-6-7-10-16(14)15/h5-10H,1-4H3/b8-5+
InChIKeyGIAJIAFLVKUTLY-VMPITWQZSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene?
The IUPAC name of 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene (CID 5375405) is 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene.
What is the SMILES notation for 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene?
The canonical SMILES for 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene is C/C=C/c1c(C)c(C)c(C)c2ccccc12.
What is the InChIKey of 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene?
The InChIKey is GIAJIAFLVKUTLY-VMPITWQZSA-N. The full InChI is InChI=1S/C16H18/c1-5-8-14-12(3)11(2)13(4)15-9-6-7-10-16(14)15/h5-10H,1-4H3/b8-5+.
What are the key properties of 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene?
1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene has a molecular weight of 210.32 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene is sourced from PubChem (CID 5375405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).