4-butylidene-2,3-dihydro-1H-naphthalene

C14H18 — CID 123805104

IUPAC4-butylidene-2,3-dihydro-1H-naphthalene
SMILESCCCC=C1CCCc2ccccc21
InChIInChI=1S/C14H18/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKeyLUGUFXMLRBLNIE-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.21
Rot. Bonds2

About 4-butylidene-2,3-dihydro-1H-naphthalene

4-butylidene-2,3-dihydro-1H-naphthalene (PubChem CID 123805104) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-butylidene-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-butylidene-2,3-dihydro-1H-naphthalene
PubChem CID123805104
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name4-butylidene-2,3-dihydro-1H-naphthalene
SMILESCCCC=C1CCCc2ccccc21
InChIInChI=1S/C14H18/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKeyLUGUFXMLRBLNIE-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-butylidene-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-butylidene-2,3-dihydro-1H-naphthalene (CID 123805104) is 4-butylidene-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-butylidene-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-butylidene-2,3-dihydro-1H-naphthalene is CCCC=C1CCCc2ccccc21.
What is the InChIKey of 4-butylidene-2,3-dihydro-1H-naphthalene?
The InChIKey is LUGUFXMLRBLNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h4-5,7-8,11H,2-3,6,9-10H2,1H3.
What are the key properties of 4-butylidene-2,3-dihydro-1H-naphthalene?
4-butylidene-2,3-dihydro-1H-naphthalene has a molecular weight of 186.30 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylidene-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 123805104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).