ethanol;3,5,5-trimethylcyclohexen-1-ol

C11H22O2 — CID 67947528

IUPACethanol;3,5,5-trimethylcyclohexen-1-ol
SMILESCC1C=C(O)CC(C)(C)C1.CCO
InChIInChI=1S/C9H16O.C2H6O/c1-7-4-8(10)6-9(2,3)5-7;1-2-3/h4,7,10H,5-6H2,1-3H3;3H,2H2,1H3
InChIKeySUBXABNOFVJDKF-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.88
Rot. Bonds

About ethanol;3,5,5-trimethylcyclohexen-1-ol

ethanol;3,5,5-trimethylcyclohexen-1-ol (PubChem CID 67947528) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is ethanol;3,5,5-trimethylcyclohexen-1-ol.

Molecular Properties

Compound Nameethanol;3,5,5-trimethylcyclohexen-1-ol
PubChem CID67947528
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Nameethanol;3,5,5-trimethylcyclohexen-1-ol
SMILESCC1C=C(O)CC(C)(C)C1.CCO
InChIInChI=1S/C9H16O.C2H6O/c1-7-4-8(10)6-9(2,3)5-7;1-2-3/h4,7,10H,5-6H2,1-3H3;3H,2H2,1H3
InChIKeySUBXABNOFVJDKF-UHFFFAOYSA-N
XLogP2.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10313302
CID 10773483
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CID 20976015
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CID 74069754
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CID 117953337
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CID 130122231
CID 130122231
CID 250467
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CID 3809023
CID 3809023

Frequently Asked Questions

What is the IUPAC name of ethanol;3,5,5-trimethylcyclohexen-1-ol?
The IUPAC name of ethanol;3,5,5-trimethylcyclohexen-1-ol (CID 67947528) is ethanol;3,5,5-trimethylcyclohexen-1-ol.
What is the SMILES notation for ethanol;3,5,5-trimethylcyclohexen-1-ol?
The canonical SMILES for ethanol;3,5,5-trimethylcyclohexen-1-ol is CC1C=C(O)CC(C)(C)C1.CCO.
What is the InChIKey of ethanol;3,5,5-trimethylcyclohexen-1-ol?
The InChIKey is SUBXABNOFVJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C2H6O/c1-7-4-8(10)6-9(2,3)5-7;1-2-3/h4,7,10H,5-6H2,1-3H3;3H,2H2,1H3.
What are the key properties of ethanol;3,5,5-trimethylcyclohexen-1-ol?
ethanol;3,5,5-trimethylcyclohexen-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3,5,5-trimethylcyclohexen-1-ol is sourced from PubChem (CID 67947528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).