bis(cyclopentane);methanol

C12H28O2 — CID 160954606

IUPACbis(cyclopentane);methanol
SMILESC1CCCC1.C1CCCC1.CO.CO
InChIInChI=1S/2C5H10.2CH4O/c2*1-2-4-5-3-1;2*1-2/h2*1-5H2;2*2H,1H3
InChIKeySWFIJGOPWDOEHH-UHFFFAOYSA-N
MW204.35 g/mol
LogP3.12
Rot. Bonds

About bis(cyclopentane);methanol

bis(cyclopentane);methanol (PubChem CID 160954606) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is bis(cyclopentane);methanol.

Molecular Properties

Compound Namebis(cyclopentane);methanol
PubChem CID160954606
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Namebis(cyclopentane);methanol
SMILESC1CCCC1.C1CCCC1.CO.CO
InChIInChI=1S/2C5H10.2CH4O/c2*1-2-4-5-3-1;2*1-2/h2*1-5H2;2*2H,1H3
InChIKeySWFIJGOPWDOEHH-UHFFFAOYSA-N
XLogP3.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66841571
cyclohexane;methanol;propan-2-ol
CID 67797847
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cyclobutane;ethane
CID 91611118
cyclopropane;ethane
CID 144519947
cyclopropane;ethane
CID 160958790
cyclobutane;cyclohexane;ethane
CID 159889841

Frequently Asked Questions

What is the IUPAC name of bis(cyclopentane);methanol?
The IUPAC name of bis(cyclopentane);methanol (CID 160954606) is bis(cyclopentane);methanol.
What is the SMILES notation for bis(cyclopentane);methanol?
The canonical SMILES for bis(cyclopentane);methanol is C1CCCC1.C1CCCC1.CO.CO.
What is the InChIKey of bis(cyclopentane);methanol?
The InChIKey is SWFIJGOPWDOEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.2CH4O/c2*1-2-4-5-3-1;2*1-2/h2*1-5H2;2*2H,1H3.
What are the key properties of bis(cyclopentane);methanol?
bis(cyclopentane);methanol has a molecular weight of 204.35 g/mol, XLogP of 3.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentane);methanol is sourced from PubChem (CID 160954606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).