4-[(Z)-hex-1-enyl]-4-propan-2-yloxane

C14H26O — CID 118404121

IUPAC4-[(Z)-hex-1-enyl]-4-propan-2-yloxane
SMILESCCCC/C=C\C1(C(C)C)CCOCC1
InChIInChI=1S/C14H26O/c1-4-5-6-7-8-14(13(2)3)9-11-15-12-10-14/h7-8,13H,4-6,9-12H2,1-3H3/b8-7-
InChIKeyYOYVFUCKYZYKST-FPLPWBNLSA-N
MW210.36 g/mol
LogP4.19
Rot. Bonds5

About 4-[(Z)-hex-1-enyl]-4-propan-2-yloxane

4-[(Z)-hex-1-enyl]-4-propan-2-yloxane (PubChem CID 118404121) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-[(Z)-hex-1-enyl]-4-propan-2-yloxane.

Molecular Properties

Compound Name4-[(Z)-hex-1-enyl]-4-propan-2-yloxane
PubChem CID118404121
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name4-[(Z)-hex-1-enyl]-4-propan-2-yloxane
SMILESCCCC/C=C\C1(C(C)C)CCOCC1
InChIInChI=1S/C14H26O/c1-4-5-6-7-8-14(13(2)3)9-11-15-12-10-14/h7-8,13H,4-6,9-12H2,1-3H3/b8-7-
InChIKeyYOYVFUCKYZYKST-FPLPWBNLSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-hex-1-enyl]-4-propan-2-yloxane?
The IUPAC name of 4-[(Z)-hex-1-enyl]-4-propan-2-yloxane (CID 118404121) is 4-[(Z)-hex-1-enyl]-4-propan-2-yloxane.
What is the SMILES notation for 4-[(Z)-hex-1-enyl]-4-propan-2-yloxane?
The canonical SMILES for 4-[(Z)-hex-1-enyl]-4-propan-2-yloxane is CCCC/C=C\C1(C(C)C)CCOCC1.
What is the InChIKey of 4-[(Z)-hex-1-enyl]-4-propan-2-yloxane?
The InChIKey is YOYVFUCKYZYKST-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H26O/c1-4-5-6-7-8-14(13(2)3)9-11-15-12-10-14/h7-8,13H,4-6,9-12H2,1-3H3/b8-7-.
What are the key properties of 4-[(Z)-hex-1-enyl]-4-propan-2-yloxane?
4-[(Z)-hex-1-enyl]-4-propan-2-yloxane has a molecular weight of 210.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-hex-1-enyl]-4-propan-2-yloxane is sourced from PubChem (CID 118404121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).