(2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one

C16H22O2 — CID 34179334

IUPAC(2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one
SMILESCC(C)=CCC[C@]1(C)C=CC2=C(CCCC2=O)O1
InChIInChI=1S/C16H22O2/c1-12(2)6-5-10-16(3)11-9-13-14(17)7-4-8-15(13)18-16/h6,9,11H,4-5,7-8,10H2,1-3H3/t16-/m1/s1
InChIKeyKVABLNSGPPDNJB-MRXNPFEDSA-N
MW246.35 g/mol
LogP4.09
Rot. Bonds3

About (2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one

(2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one (PubChem CID 34179334) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one.

Molecular Properties

Compound Name(2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one
PubChem CID34179334
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one
SMILESCC(C)=CCC[C@]1(C)C=CC2=C(CCCC2=O)O1
InChIInChI=1S/C16H22O2/c1-12(2)6-5-10-16(3)11-9-13-14(17)7-4-8-15(13)18-16/h6,9,11H,4-5,7-8,10H2,1-3H3/t16-/m1/s1
InChIKeyKVABLNSGPPDNJB-MRXNPFEDSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)benzo[g]chromene-5,10-dione
CID 162973482
(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene
CID 177454161
4,11-bis[(3E)-4,8-dimethylnona-3,7-dienyl]-4,11-dimethyl-3,12-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),5,8(13),9,14,16-heptaene
CID 162664301
(2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol
CID 134968550
2-[2,7-dimethyl-2-(4-methylpent-3-enyl)-5-oxopyrano[3,2-c]pyridin-6-yl]acetic acid
CID 110091397
8-chloro-5-hydroxy-2,7-dimethyl-2-(4-methylpent-3-enyl)chromene-6-carbaldehyde
CID 10245493
1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone
CID 126659202
7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
CID 154673208
(5R)-5-methyl-5-(4-methylpent-3-enyl)-2,3-dihydro-1,4-dioxepine
CID 97289364
5-methyl-5-(4-methylpent-3-enyl)-2,3-dihydro-1,4-dioxepine
CID 84820365
methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate
CID 162940293
5-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-7-yl]pentanoic acid
CID 164591600

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one?
The IUPAC name of (2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one (CID 34179334) is (2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one.
What is the SMILES notation for (2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one?
The canonical SMILES for (2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one is CC(C)=CCC[C@]1(C)C=CC2=C(CCCC2=O)O1.
What is the InChIKey of (2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one?
The InChIKey is KVABLNSGPPDNJB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22O2/c1-12(2)6-5-10-16(3)11-9-13-14(17)7-4-8-15(13)18-16/h6,9,11H,4-5,7-8,10H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one?
(2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one has a molecular weight of 246.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one is sourced from PubChem (CID 34179334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).