methanol;2-methylcyclohexa-1,3-diene;propane

C11H22O — CID 142947667

IUPACmethanol;2-methylcyclohexa-1,3-diene;propane
SMILESCC1=CCCC=C1.CCC.CO
InChIInChI=1S/C7H10.C3H8.CH4O/c1-7-5-3-2-4-6-7;1-3-2;1-2/h3,5-6H,2,4H2,1H3;3H2,1-2H3;2H,1H3
InChIKeyHBIPZBSHOQMTHI-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.31
Rot. Bonds

About methanol;2-methylcyclohexa-1,3-diene;propane

methanol;2-methylcyclohexa-1,3-diene;propane (PubChem CID 142947667) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is methanol;2-methylcyclohexa-1,3-diene;propane.

Molecular Properties

Compound Namemethanol;2-methylcyclohexa-1,3-diene;propane
PubChem CID142947667
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Namemethanol;2-methylcyclohexa-1,3-diene;propane
SMILESCC1=CCCC=C1.CCC.CO
InChIInChI=1S/C7H10.C3H8.CH4O/c1-7-5-3-2-4-6-7;1-3-2;1-2/h3,5-6H,2,4H2,1H3;3H2,1-2H3;2H,1H3
InChIKeyHBIPZBSHOQMTHI-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methylcyclohexa-1,3-diene;propane
CID 144716952
methane;2-methylcyclohexa-1,3-diene
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CID 144521653
acetaldehyde;2-methylcyclohexa-1,3-diene
CID 144635088
2-methylcycloundeca-1,3,7-triene
CID 123392586
(1E,3Z,6E)-3-methylcyclonona-1,3,6-triene
CID 176704400
ethane;2-ethylphenol;2-methylcyclohexa-1,3-diene;1,3-xylene
CID 170647180
(1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene
CID 143612207
cyclohexa-1,5-dien-1-ol;ethane
CID 143526477
2-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
CID 145327169
N-ethylcyclohexa-1,5-dien-1-amine
CID 18448807
acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane
CID 168915570

Frequently Asked Questions

What is the IUPAC name of methanol;2-methylcyclohexa-1,3-diene;propane?
The IUPAC name of methanol;2-methylcyclohexa-1,3-diene;propane (CID 142947667) is methanol;2-methylcyclohexa-1,3-diene;propane.
What is the SMILES notation for methanol;2-methylcyclohexa-1,3-diene;propane?
The canonical SMILES for methanol;2-methylcyclohexa-1,3-diene;propane is CC1=CCCC=C1.CCC.CO.
What is the InChIKey of methanol;2-methylcyclohexa-1,3-diene;propane?
The InChIKey is HBIPZBSHOQMTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C3H8.CH4O/c1-7-5-3-2-4-6-7;1-3-2;1-2/h3,5-6H,2,4H2,1H3;3H2,1-2H3;2H,1H3.
What are the key properties of methanol;2-methylcyclohexa-1,3-diene;propane?
methanol;2-methylcyclohexa-1,3-diene;propane has a molecular weight of 170.30 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methylcyclohexa-1,3-diene;propane is sourced from PubChem (CID 142947667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).