4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol

C10H18O — CID 73412839

IUPAC4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
SMILESC=C(C)C(CO)CC(C)=CC
InChIInChI=1S/C10H18O/c1-5-9(4)6-10(7-11)8(2)3/h5,10-11H,2,6-7H2,1,3-4H3
InChIKeyBCDGREOJJCLPJD-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.53
Rot. Bonds4

About 4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol

4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol (PubChem CID 73412839) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol.

Molecular Properties

Compound Name4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
PubChem CID73412839
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
SMILESC=C(C)C(CO)CC(C)=CC
InChIInChI=1S/C10H18O/c1-5-9(4)6-10(7-11)8(2)3/h5,10-11H,2,6-7H2,1,3-4H3
InChIKeyBCDGREOJJCLPJD-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol?
The IUPAC name of 4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol (CID 73412839) is 4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol.
What is the SMILES notation for 4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol?
The canonical SMILES for 4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol is C=C(C)C(CO)CC(C)=CC.
What is the InChIKey of 4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol?
The InChIKey is BCDGREOJJCLPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-9(4)6-10(7-11)8(2)3/h5,10-11H,2,6-7H2,1,3-4H3.
What are the key properties of 4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol?
4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol is sourced from PubChem (CID 73412839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).