1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol

C18H32O3 — CID 165342503

IUPAC1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol
SMILESCCOC(C)OC(C)C=CC1(O)C=C(C)CCC1C(C)C
InChIInChI=1S/C18H32O3/c1-7-20-16(6)21-15(5)10-11-18(19)12-14(4)8-9-17(18)13(2)3/h10-13,15-17,19H,7-9H2,1-6H3
InChIKeyVBCRNJRFYRJJQX-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.07
Rot. Bonds7

About 1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol

1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 165342503) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol
PubChem CID165342503
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol
SMILESCCOC(C)OC(C)C=CC1(O)C=C(C)CCC1C(C)C
InChIInChI=1S/C18H32O3/c1-7-20-16(6)21-15(5)10-11-18(19)12-14(4)8-9-17(18)13(2)3/h10-13,15-17,19H,7-9H2,1-6H3
InChIKeyVBCRNJRFYRJJQX-UHFFFAOYSA-N
XLogP4.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of 1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol (CID 165342503) is 1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for 1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol is CCOC(C)OC(C)C=CC1(O)C=C(C)CCC1C(C)C.
What is the InChIKey of 1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is VBCRNJRFYRJJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-7-20-16(6)21-15(5)10-11-18(19)12-14(4)8-9-17(18)13(2)3/h10-13,15-17,19H,7-9H2,1-6H3.
What are the key properties of 1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol?
1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 296.45 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxyethoxy)but-1-enyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 165342503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).