4-propan-2-ylidene-2,3,5,6-tetrahydrochromene

C12H16O — CID 89174350

IUPAC4-propan-2-ylidene-2,3,5,6-tetrahydrochromene
SMILESCC(C)=C1CCOC2=C1CCC=C2
InChIInChI=1S/C12H16O/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h4,6H,3,5,7-8H2,1-2H3
InChIKeyRTTYXDSPYYWMFS-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.35
Rot. Bonds

About 4-propan-2-ylidene-2,3,5,6-tetrahydrochromene

4-propan-2-ylidene-2,3,5,6-tetrahydrochromene (PubChem CID 89174350) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-propan-2-ylidene-2,3,5,6-tetrahydrochromene.

Molecular Properties

Compound Name4-propan-2-ylidene-2,3,5,6-tetrahydrochromene
PubChem CID89174350
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4-propan-2-ylidene-2,3,5,6-tetrahydrochromene
SMILESCC(C)=C1CCOC2=C1CCC=C2
InChIInChI=1S/C12H16O/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h4,6H,3,5,7-8H2,1-2H3
InChIKeyRTTYXDSPYYWMFS-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylidene-2,3,5,6-tetrahydrochromene?
The IUPAC name of 4-propan-2-ylidene-2,3,5,6-tetrahydrochromene (CID 89174350) is 4-propan-2-ylidene-2,3,5,6-tetrahydrochromene.
What is the SMILES notation for 4-propan-2-ylidene-2,3,5,6-tetrahydrochromene?
The canonical SMILES for 4-propan-2-ylidene-2,3,5,6-tetrahydrochromene is CC(C)=C1CCOC2=C1CCC=C2.
What is the InChIKey of 4-propan-2-ylidene-2,3,5,6-tetrahydrochromene?
The InChIKey is RTTYXDSPYYWMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of 4-propan-2-ylidene-2,3,5,6-tetrahydrochromene?
4-propan-2-ylidene-2,3,5,6-tetrahydrochromene has a molecular weight of 176.26 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylidene-2,3,5,6-tetrahydrochromene is sourced from PubChem (CID 89174350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).