1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

C30H52O2 — CID 143405107

IUPAC1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SMILESCC1CCC(C(C)COC2CCC3CCCCC3C2C2C(O)CCC3CCCCC32)CC1
InChIInChI=1S/C30H52O2/c1-20-11-13-22(14-12-20)21(2)19-32-28-18-16-24-8-4-6-10-26(24)30(28)29-25-9-5-3-7-23(25)15-17-27(29)31/h20-31H,3-19H2,1-2H3
InChIKeyQTOSUXLPSFHQQK-UHFFFAOYSA-N
MW444.74 g/mol
LogP7.63
Rot. Bonds5

About 1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (PubChem CID 143405107) has the molecular formula C30H52O2 and a molecular weight of 444.74 g/mol. Its IUPAC name is 1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
PubChem CID143405107
Molecular FormulaC30H52O2
Molecular Weight444.74 g/mol
Exact Mass444.40
IUPAC Name1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SMILESCC1CCC(C(C)COC2CCC3CCCCC3C2C2C(O)CCC3CCCCC32)CC1
InChIInChI=1S/C30H52O2/c1-20-11-13-22(14-12-20)21(2)19-32-28-18-16-24-8-4-6-10-26(24)30(28)29-25-9-5-3-7-23(25)15-17-27(29)31/h20-31H,3-19H2,1-2H3
InChIKeyQTOSUXLPSFHQQK-UHFFFAOYSA-N
XLogP7.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.74
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol with MolForge

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Related Compounds

2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-1-ol
CID 142978793
2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423201
1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 68614086
trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol
CID 146570259
bis[3-(4-methylcyclohexyl)butyl] butanedioate
CID 69428277
1-butan-2-yl-4-methylcyclohexane
CID 20676481
2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol
CID 146251429
1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane
CID 140808329
1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane
CID 20708983
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
1-methoxypropan-2-ylcyclopentane
CID 88998786
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol
CID 143022557

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The IUPAC name of 1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (CID 143405107) is 1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.
What is the SMILES notation for 1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The canonical SMILES for 1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is CC1CCC(C(C)COC2CCC3CCCCC3C2C2C(O)CCC3CCCCC32)CC1.
What is the InChIKey of 1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The InChIKey is QTOSUXLPSFHQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O2/c1-20-11-13-22(14-12-20)21(2)19-32-28-18-16-24-8-4-6-10-26(24)30(28)29-25-9-5-3-7-23(25)15-17-27(29)31/h20-31H,3-19H2,1-2H3.
What are the key properties of 1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol has a molecular weight of 444.74 g/mol, XLogP of 7.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is sourced from PubChem (CID 143405107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).