3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol

C10H16O — CID 163189860

IUPAC3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol
SMILESCC(C)C1(C)C=C(O)C=CC1
InChIInChI=1S/C10H16O/c1-8(2)10(3)6-4-5-9(11)7-10/h4-5,7-8,11H,6H2,1-3H3
InChIKeyRKCYNTWBUKXVLX-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.05
Rot. Bonds1

About 3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol

3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol (PubChem CID 163189860) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol
PubChem CID163189860
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol
SMILESCC(C)C1(C)C=C(O)C=CC1
InChIInChI=1S/C10H16O/c1-8(2)10(3)6-4-5-9(11)7-10/h4-5,7-8,11H,6H2,1-3H3
InChIKeyRKCYNTWBUKXVLX-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol (CID 163189860) is 3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol is CC(C)C1(C)C=C(O)C=CC1.
What is the InChIKey of 3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol?
The InChIKey is RKCYNTWBUKXVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)10(3)6-4-5-9(11)7-10/h4-5,7-8,11H,6H2,1-3H3.
What are the key properties of 3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol?
3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol has a molecular weight of 152.24 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 163189860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).