1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol)

C40H90O2 — CID 160742592

IUPAC1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol)
SMILESC.CC.CC.CC.CC.CC1(C)CCCCC1.CC1(CO)CCCCC1.CC1(CO)CCCCC1.CC1CCCCC1
InChIInChI=1S/2C8H16O.C8H16.C7H14.4C2H6.CH4/c2*1-8(7-9)5-3-2-4-6-8;1-8(2)6-4-3-5-7-8;1-7-5-3-2-4-6-7;4*1-2;/h2*9H,2-7H2,1H3;3-7H2,1-2H3;7H,2-6H2,1H3;4*1-2H3;1H4
InChIKeyRVTXHKSRDJGSFF-UHFFFAOYSA-N
MW603.16 g/mol
LogP14.20
Rot. Bonds2

About 1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol)

1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol) (PubChem CID 160742592) has the molecular formula C40H90O2 and a molecular weight of 603.16 g/mol. Its IUPAC name is 1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol).

Molecular Properties

Compound Name1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol)
PubChem CID160742592
Molecular FormulaC40H90O2
Molecular Weight603.16 g/mol
Exact Mass602.69
IUPAC Name1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol)
SMILESC.CC.CC.CC.CC.CC1(C)CCCCC1.CC1(CO)CCCCC1.CC1(CO)CCCCC1.CC1CCCCC1
InChIInChI=1S/2C8H16O.C8H16.C7H14.4C2H6.CH4/c2*1-8(7-9)5-3-2-4-6-8;1-8(2)6-4-3-5-7-8;1-7-5-3-2-4-6-7;4*1-2;/h2*9H,2-7H2,1H3;3-7H2,1-2H3;7H,2-6H2,1H3;4*1-2H3;1H4
InChIKeyRVTXHKSRDJGSFF-UHFFFAOYSA-N
XLogP14.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.16
LogP ≤ 514.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143796202
1,1,4-trimethylcyclononane
CID 71397842
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
methane;methylcyclohexane
CID 143705611
1,1-dimethylcyclohexane;methane
CID 160770296
methane;methylcyclohexane;propane
CID 143031585
1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol
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1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
CID 123878948

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol)?
The IUPAC name of 1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol) (CID 160742592) is 1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol).
What is the SMILES notation for 1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol)?
The canonical SMILES for 1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol) is C.CC.CC.CC.CC.CC1(C)CCCCC1.CC1(CO)CCCCC1.CC1(CO)CCCCC1.CC1CCCCC1.
What is the InChIKey of 1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol)?
The InChIKey is RVTXHKSRDJGSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O.C8H16.C7H14.4C2H6.CH4/c2*1-8(7-9)5-3-2-4-6-8;1-8(2)6-4-3-5-7-8;1-7-5-3-2-4-6-7;4*1-2;/h2*9H,2-7H2,1H3;3-7H2,1-2H3;7H,2-6H2,1H3;4*1-2H3;1H4.
What are the key properties of 1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol)?
1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol) has a molecular weight of 603.16 g/mol, XLogP of 14.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol) is sourced from PubChem (CID 160742592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).