2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene

C14H24O — CID 573147

IUPAC2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene
SMILESCC1=CC(C)OC2(C)CCCC(C)(C)C12
InChIInChI=1S/C14H24O/c1-10-9-11(2)15-14(5)8-6-7-13(3,4)12(10)14/h9,11-12H,6-8H2,1-5H3
InChIKeyYSPMWKOJAYDZCC-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.94
Rot. Bonds

About 2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene

2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene (PubChem CID 573147) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene.

Molecular Properties

Compound Name2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene
PubChem CID573147
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene
SMILESCC1=CC(C)OC2(C)CCCC(C)(C)C12
InChIInChI=1S/C14H24O/c1-10-9-11(2)15-14(5)8-6-7-13(3,4)12(10)14/h9,11-12H,6-8H2,1-5H3
InChIKeyYSPMWKOJAYDZCC-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene?
The IUPAC name of 2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene (CID 573147) is 2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene.
What is the SMILES notation for 2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene?
The canonical SMILES for 2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene is CC1=CC(C)OC2(C)CCCC(C)(C)C12.
What is the InChIKey of 2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene?
The InChIKey is YSPMWKOJAYDZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-9-11(2)15-14(5)8-6-7-13(3,4)12(10)14/h9,11-12H,6-8H2,1-5H3.
What are the key properties of 2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene?
2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene has a molecular weight of 208.34 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-2H-chromene is sourced from PubChem (CID 573147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).