(1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol

C18H30O2 — CID 98167493

IUPAC(1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol
SMILESC=CCCCCC[C@@]1(O)CCC=CCC[C@@]1(O)CC=C
InChIInChI=1S/C18H30O2/c1-3-5-6-7-10-15-18(20)16-12-9-8-11-14-17(18,19)13-4-2/h3-4,8-9,19-20H,1-2,5-7,10-16H2/t17-,18+/m0/s1
InChIKeyPWKJCQXVDQIPKI-ZWKOTPCHSA-N
MW278.44 g/mol
LogP4.29
Rot. Bonds8

About (1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol

(1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol (PubChem CID 98167493) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol
PubChem CID98167493
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol
SMILESC=CCCCCC[C@@]1(O)CCC=CCC[C@@]1(O)CC=C
InChIInChI=1S/C18H30O2/c1-3-5-6-7-10-15-18(20)16-12-9-8-11-14-17(18,19)13-4-2/h3-4,8-9,19-20H,1-2,5-7,10-16H2/t17-,18+/m0/s1
InChIKeyPWKJCQXVDQIPKI-ZWKOTPCHSA-N
XLogP4.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol?
The IUPAC name of (1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol (CID 98167493) is (1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol.
What is the SMILES notation for (1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol?
The canonical SMILES for (1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol is C=CCCCCC[C@@]1(O)CCC=CCC[C@@]1(O)CC=C.
What is the InChIKey of (1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol?
The InChIKey is PWKJCQXVDQIPKI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H30O2/c1-3-5-6-7-10-15-18(20)16-12-9-8-11-14-17(18,19)13-4-2/h3-4,8-9,19-20H,1-2,5-7,10-16H2/t17-,18+/m0/s1.
What are the key properties of (1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol?
(1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol has a molecular weight of 278.44 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-hept-6-enyl-2-prop-2-enylcyclooct-5-ene-1,2-diol is sourced from PubChem (CID 98167493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).