1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate

C100H220O15 — CID 160507704

IUPAC1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate
SMILESCC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.COC1CCC(C)C(C)C1C.COC1CCC(C)C(C)C1C.COC1CCC(C)C(C)C1C.COC1CCC(OC)C(C)C1C.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/C10H20O2.3C10H20O.6C10H20.10H2O/c1-7-8(2)10(12-4)6-5-9(7)11-3;3*1-7-5-6-10(11-4)9(3)8(7)2;6*1-7-5-6-8(2)10(4)9(7)3;;;;;;;;;;/h7-10H,5-6H2,1-4H3;3*7-10H,5-6H2,1-4H3;6*7-10H,5-6H2,1-4H3;10*1H2
InChIKeyMWVBPGCKXQOBKM-UHFFFAOYSA-N
MW1662.84 g/mol
LogP21.89
Rot. Bonds5

About 1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate

1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate (PubChem CID 160507704) has the molecular formula C100H220O15 and a molecular weight of 1662.84 g/mol. Its IUPAC name is 1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate.

Molecular Properties

Compound Name1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate
PubChem CID160507704
Molecular FormulaC100H220O15
Molecular Weight1662.84 g/mol
Exact Mass1661.65
IUPAC Name1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate
SMILESCC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.COC1CCC(C)C(C)C1C.COC1CCC(C)C(C)C1C.COC1CCC(C)C(C)C1C.COC1CCC(OC)C(C)C1C.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/C10H20O2.3C10H20O.6C10H20.10H2O/c1-7-8(2)10(12-4)6-5-9(7)11-3;3*1-7-5-6-10(11-4)9(3)8(7)2;6*1-7-5-6-8(2)10(4)9(7)3;;;;;;;;;;/h7-10H,5-6H2,1-4H3;3*7-10H,5-6H2,1-4H3;6*7-10H,5-6H2,1-4H3;10*1H2
InChIKeyMWVBPGCKXQOBKM-UHFFFAOYSA-N
XLogP21.89
TPSA361.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001662.84
LogP ≤ 521.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate?
The IUPAC name of 1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate (CID 160507704) is 1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate.
What is the SMILES notation for 1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate?
The canonical SMILES for 1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate is CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.CC1CCC(C)C(C)C1C.COC1CCC(C)C(C)C1C.COC1CCC(C)C(C)C1C.COC1CCC(C)C(C)C1C.COC1CCC(OC)C(C)C1C.O.O.O.O.O.O.O.O.O.O.
What is the InChIKey of 1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate?
The InChIKey is MWVBPGCKXQOBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.3C10H20O.6C10H20.10H2O/c1-7-8(2)10(12-4)6-5-9(7)11-3;3*1-7-5-6-10(11-4)9(3)8(7)2;6*1-7-5-6-8(2)10(4)9(7)3;;;;;;;;;;/h7-10H,5-6H2,1-4H3;3*7-10H,5-6H2,1-4H3;6*7-10H,5-6H2,1-4H3;10*1H2.
What are the key properties of 1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate?
1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate has a molecular weight of 1662.84 g/mol, XLogP of 21.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate is sourced from PubChem (CID 160507704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).