(1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane

C13H23ClO — CID 140731931

IUPAC(1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC/C=C\Cl
InChIInChI=1S/C13H23ClO/c1-10(2)12-6-5-11(3)9-13(12)15-8-4-7-14/h4,7,10-13H,5-6,8-9H2,1-3H3/b7-4-/t11-,12+,13-/m1/s1
InChIKeyRFLQWCCORMQVBH-PBRGRUASSA-N
MW230.78 g/mol
LogP4.22
Rot. Bonds4

About (1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane

(1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 140731931) has the molecular formula C13H23ClO and a molecular weight of 230.78 g/mol. Its IUPAC name is (1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane
PubChem CID140731931
Molecular FormulaC13H23ClO
Molecular Weight230.78 g/mol
Exact Mass230.14
IUPAC Name(1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC/C=C\Cl
InChIInChI=1S/C13H23ClO/c1-10(2)12-6-5-11(3)9-13(12)15-8-4-7-14/h4,7,10-13H,5-6,8-9H2,1-3H3/b7-4-/t11-,12+,13-/m1/s1
InChIKeyRFLQWCCORMQVBH-PBRGRUASSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of (1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane (CID 140731931) is (1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC/C=C\Cl.
What is the InChIKey of (1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is RFLQWCCORMQVBH-PBRGRUASSA-N. The full InChI is InChI=1S/C13H23ClO/c1-10(2)12-6-5-11(3)9-13(12)15-8-4-7-14/h4,7,10-13H,5-6,8-9H2,1-3H3/b7-4-/t11-,12+,13-/m1/s1.
What are the key properties of (1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane?
(1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 230.78 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-[(Z)-3-chloroprop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 140731931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).