9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene

C27H46O2 — CID 140500151

IUPAC9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
SMILESCOC1CCCCC1C1(C2CCCCC2OC)C2CCCCC2C2CCCCC21
InChIInChI=1S/C27H46O2/c1-28-25-17-9-7-15-23(25)27(24-16-8-10-18-26(24)29-2)21-13-5-3-11-19(21)20-12-4-6-14-22(20)27/h19-26H,3-18H2,1-2H3
InChIKeyHICVCMYBBVVSIF-UHFFFAOYSA-N
MW402.66 g/mol
LogP7.01
Rot. Bonds4

About 9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene

9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene (PubChem CID 140500151) has the molecular formula C27H46O2 and a molecular weight of 402.66 g/mol. Its IUPAC name is 9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene.

Molecular Properties

Compound Name9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
PubChem CID140500151
Molecular FormulaC27H46O2
Molecular Weight402.66 g/mol
Exact Mass402.35
IUPAC Name9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
SMILESCOC1CCCCC1C1(C2CCCCC2OC)C2CCCCC2C2CCCCC21
InChIInChI=1S/C27H46O2/c1-28-25-17-9-7-15-23(25)27(24-16-8-10-18-26(24)29-2)21-13-5-3-11-19(21)20-12-4-6-14-22(20)27/h19-26H,3-18H2,1-2H3
InChIKeyHICVCMYBBVVSIF-UHFFFAOYSA-N
XLogP7.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.66
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene with MolForge

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Related Compounds

(2S)-2-methoxycyclohexan-1-ol
CID 11105391
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
CID 123654850
1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane
CID 130587220
(1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane
CID 125035268
16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine
CID 134369076
trans-(1R,2R)-1-methoxy-2-methylcyclohexane
CID 12546407
4-fluoro-4-(2-methoxycyclopentyl)piperidine
CID 130587351
2-methoxycyclohexan-1-olate
CID 135042993
1,2-dimethoxycyclohexane;methoxycyclohexane
CID 174549782
cis-(1S,2R)-1-fluoro-2-methoxycyclohexane
CID 12700790
1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride
CID 158258914

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene?
The IUPAC name of 9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene (CID 140500151) is 9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene.
What is the SMILES notation for 9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene?
The canonical SMILES for 9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene is COC1CCCCC1C1(C2CCCCC2OC)C2CCCCC2C2CCCCC21.
What is the InChIKey of 9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene?
The InChIKey is HICVCMYBBVVSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O2/c1-28-25-17-9-7-15-23(25)27(24-16-8-10-18-26(24)29-2)21-13-5-3-11-19(21)20-12-4-6-14-22(20)27/h19-26H,3-18H2,1-2H3.
What are the key properties of 9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene?
9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene has a molecular weight of 402.66 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene is sourced from PubChem (CID 140500151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).