(6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene

C16H24O — CID 89318995

IUPAC(6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene
SMILESC/C=C\C=C(/CC)OC1=C[C@@H](C(C)C)CC=C1
InChIInChI=1S/C16H24O/c1-5-7-10-15(6-2)17-16-11-8-9-14(12-16)13(3)4/h5,7-8,10-14H,6,9H2,1-4H3/b7-5-,15-10+/t14-/m0/s1
InChIKeySLUQTCKYFXXNLR-RRJLATALSA-N
MW232.37 g/mol
LogP4.99
Rot. Bonds5

About (6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene

(6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene (PubChem CID 89318995) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene
PubChem CID89318995
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene
SMILESC/C=C\C=C(/CC)OC1=C[C@@H](C(C)C)CC=C1
InChIInChI=1S/C16H24O/c1-5-7-10-15(6-2)17-16-11-8-9-14(12-16)13(3)4/h5,7-8,10-14H,6,9H2,1-4H3/b7-5-,15-10+/t14-/m0/s1
InChIKeySLUQTCKYFXXNLR-RRJLATALSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of (6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene (CID 89318995) is (6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for (6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for (6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene is C/C=C\C=C(/CC)OC1=C[C@@H](C(C)C)CC=C1.
What is the InChIKey of (6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is SLUQTCKYFXXNLR-RRJLATALSA-N. The full InChI is InChI=1S/C16H24O/c1-5-7-10-15(6-2)17-16-11-8-9-14(12-16)13(3)4/h5,7-8,10-14H,6,9H2,1-4H3/b7-5-,15-10+/t14-/m0/s1.
What are the key properties of (6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene?
(6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 232.37 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-[(3E,5Z)-hepta-3,5-dien-3-yl]oxy-6-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 89318995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).