4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene

C17H30O — CID 11322686

IUPAC4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
SMILESCC1(C)CCCC2(C)C1CCC1(C)OCCCC12
InChIInChI=1S/C17H30O/c1-15(2)9-6-10-16(3)13(15)8-11-17(4)14(16)7-5-12-18-17/h13-14H,5-12H2,1-4H3
InChIKeyTZKRQGKIFKQHIU-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.80
Rot. Bonds

About 4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene

4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene (PubChem CID 11322686) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene.

Molecular Properties

Compound Name4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
PubChem CID11322686
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
SMILESCC1(C)CCCC2(C)C1CCC1(C)OCCCC12
InChIInChI=1S/C17H30O/c1-15(2)9-6-10-16(3)13(15)8-11-17(4)14(16)7-5-12-18-17/h13-14H,5-12H2,1-4H3
InChIKeyTZKRQGKIFKQHIU-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene?
The IUPAC name of 4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene (CID 11322686) is 4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene.
What is the SMILES notation for 4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene?
The canonical SMILES for 4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene is CC1(C)CCCC2(C)C1CCC1(C)OCCCC12.
What is the InChIKey of 4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene?
The InChIKey is TZKRQGKIFKQHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-15(2)9-6-10-16(3)13(15)8-11-17(4)14(16)7-5-12-18-17/h13-14H,5-12H2,1-4H3.
What are the key properties of 4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene?
4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene has a molecular weight of 250.43 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,7,7,10a-tetramethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene is sourced from PubChem (CID 11322686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).