3-butylidene-2H-naphthalene

C14H16 — CID 141091658

IUPAC3-butylidene-2H-naphthalene
SMILESCCCC=C1C=c2ccccc2=CC1
InChIInChI=1S/C14H16/c1-2-3-6-12-9-10-13-7-4-5-8-14(13)11-12/h4-8,10-11H,2-3,9H2,1H3
InChIKeyCFLRRGMSSYAVBP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.38
Rot. Bonds2

About 3-butylidene-2H-naphthalene

3-butylidene-2H-naphthalene (PubChem CID 141091658) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-butylidene-2H-naphthalene.

Molecular Properties

Compound Name3-butylidene-2H-naphthalene
PubChem CID141091658
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name3-butylidene-2H-naphthalene
SMILESCCCC=C1C=c2ccccc2=CC1
InChIInChI=1S/C14H16/c1-2-3-6-12-9-10-13-7-4-5-8-14(13)11-12/h4-8,10-11H,2-3,9H2,1H3
InChIKeyCFLRRGMSSYAVBP-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-butylidene-2H-naphthalene?
The IUPAC name of 3-butylidene-2H-naphthalene (CID 141091658) is 3-butylidene-2H-naphthalene.
What is the SMILES notation for 3-butylidene-2H-naphthalene?
The canonical SMILES for 3-butylidene-2H-naphthalene is CCCC=C1C=c2ccccc2=CC1.
What is the InChIKey of 3-butylidene-2H-naphthalene?
The InChIKey is CFLRRGMSSYAVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-2-3-6-12-9-10-13-7-4-5-8-14(13)11-12/h4-8,10-11H,2-3,9H2,1H3.
What are the key properties of 3-butylidene-2H-naphthalene?
3-butylidene-2H-naphthalene has a molecular weight of 184.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylidene-2H-naphthalene is sourced from PubChem (CID 141091658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).