8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

C12H22O — CID 176780580

IUPAC8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCC(C)C1CCCC2CCCOC21
InChIInChI=1S/C12H22O/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h9-12H,3-8H2,1-2H3
InChIKeyGYHKMCQNEPYMCL-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.24
Rot. Bonds1

About 8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (PubChem CID 176780580) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.

Molecular Properties

Compound Name8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
PubChem CID176780580
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCC(C)C1CCCC2CCCOC21
InChIInChI=1S/C12H22O/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h9-12H,3-8H2,1-2H3
InChIKeyGYHKMCQNEPYMCL-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
(3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 129384273
acetic acid;3-propan-2-yloxan-2-ol
CID 71379645
N,N-dimethyl-3-propan-2-yloxepan-2-amine
CID 137487098
(3-propan-2-yloxan-2-yl) acetate
CID 91983932
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
(2S,3R)-3-methyl-2-propan-2-yloxane
CID 121477247
(2R,3R)-3-methyl-2-propan-2-yloxane
CID 121477252
bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane
CID 159738816
trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane
CID 172588830
trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane
CID 167274571

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The IUPAC name of 8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (CID 176780580) is 8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.
What is the SMILES notation for 8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The canonical SMILES for 8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is CC(C)C1CCCC2CCCOC21.
What is the InChIKey of 8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The InChIKey is GYHKMCQNEPYMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h9-12H,3-8H2,1-2H3.
What are the key properties of 8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene has a molecular weight of 182.31 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is sourced from PubChem (CID 176780580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).