7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one

C14H20O2 — CID 90112408

IUPAC7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one
SMILESCC(C)C1C=COC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C14H20O2/c1-9(2)10-5-6-16-12-8-14(3,4)7-11(15)13(10)12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyKYQIFVAOJKBZBW-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.45
Rot. Bonds1

About 7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one

7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one (PubChem CID 90112408) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one.

Molecular Properties

Compound Name7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one
PubChem CID90112408
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one
SMILESCC(C)C1C=COC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C14H20O2/c1-9(2)10-5-6-16-12-8-14(3,4)7-11(15)13(10)12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyKYQIFVAOJKBZBW-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7,7-Trimethyl-7,8-dihydro-6H-chromene-4,5-dione
CID 788398
(4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 247072
1,4,4A,5,8,8A-Hexahydro-3-methoxy-8A-methyl-1-naphthalenone
CID 288192
3-Ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one
CID 10241790
3-Ethoxy-6-(3-methylbutyl)cyclohex-2-en-1-one
CID 10242233
2-Isopropylidene-8-isopropoxy-10-methylspiro[4.5]dec-7-en-6-one
CID 23451695
(4R,4aS,8aS)-4-(2-methoxyethyl)-3,8,8-trimethyl-5-oxo-4,8a-dihydro-1H-naphthalene-4a-carbaldehyde
CID 21763101
(6S)-10-chloro-5,5,9-trimethyl-3-(2-methylpropoxy)spiro[5.5]undeca-2,9-dien-1-one
CID 24776852
(4aR,8aS)-3-methoxy-8a-methyl-4,4a,5,8-tetrahydronaphthalen-1-one
CID 92140316
(8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one
CID 95004318
(4aR,8aS)-2-methoxy-8a-methyl-3-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 101358444
(6S)-6-methyl-3-(2-methylpropoxy)-6-prop-2-enylcyclohex-2-en-1-one
CID 122368403

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one?
The IUPAC name of 7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one (CID 90112408) is 7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one.
What is the SMILES notation for 7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one?
The canonical SMILES for 7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one is CC(C)C1C=COC2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of 7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one?
The InChIKey is KYQIFVAOJKBZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)10-5-6-16-12-8-14(3,4)7-11(15)13(10)12/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one?
7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one has a molecular weight of 220.31 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one is sourced from PubChem (CID 90112408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).