1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C12H22O2 — CID 121446270

IUPAC1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCOC1CCC2C(CCCC2OC)C1
InChIInChI=1S/C12H22O2/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h9-12H,3-8H2,1-2H3
InChIKeyMCUGKJCTXSKRTB-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.62
Rot. Bonds2

About 1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 121446270) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID121446270
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCOC1CCC2C(CCCC2OC)C1
InChIInChI=1S/C12H22O2/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h9-12H,3-8H2,1-2H3
InChIKeyMCUGKJCTXSKRTB-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclobutyl-2-methoxycyclobutane
CID 89278867
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
1,2,4-trimethoxycyclohexane
CID 547386
1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 175940017
6-methoxybicyclo[3.2.1]octane
CID 13070234
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
tricyclo[4.4.0.02,8]decane
CID 585864
3-(3-methoxycyclohexyl)cyclohexene
CID 89299803
1,2-dimethoxycyclohexane;methoxycyclohexane
CID 174549782
1-methoxy-4-(4-methylcyclohexyl)cycloheptane
CID 130462304

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 121446270) is 1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is COC1CCC2C(CCCC2OC)C1.
What is the InChIKey of 1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is MCUGKJCTXSKRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 198.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 121446270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).